# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T15:57:08+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 3' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000396","9.1546","0.0002","9.1546","0.0002","9.1546","0.0002","90","","90","","90","","767.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Zirconium tungstate","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Auray, M; Quarton, M; Leblanc, M","Zirconium tungstate","Acta Crystallographica C (39,1983-)","1995","51","","2210","2213","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001395","9.8559","0.0006","9.8559","0.0006","9.8559","0.0006","90","","90","","90","","957.4","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium titanium(III) titanium(IV) phosphate (1.75/1/1/3)","","- K1.75 O12 P3 Ti2 -","- K1.75 O12 P3 Ti2 -","- K7 O48 P12 Ti8 -","4","0.333333","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B.","K~2-x~ Ti~2~ (P O~4~)~3~ with 0< x< 0.5: A Mixed-Valence Nonstoichiometric Titanophosphate with Langbeinite Structure","Journal of Solid State Chemistry","1989","78","","227","231","10.1016/0022-4596(89)90101-1","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001396","9.8688","0.0006","9.8688","0.0006","9.8688","0.0006","90","","90","","90","","961.2","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Dipotassium titanium(III) titanium(IV) tris(phosphate)","","- K2 O12 P3 Ti2 -","- K2 O12 P3 Ti2 -","- K8 O48 P12 Ti8 -","4","0.333333","","Leclaire, A; Benmoussa, A; Borel, M M; Grandin, A; Raveau, B.","K~2-x~ Ti~2~ (P O~4~)~3~ with 0< x< 0.5: A Mixed-Valence Nonstoichiometric Titanophosphate with Langbeinite Structure","Journal of Solid State Chemistry","1989","78","","227","231","10.1016/0022-4596(89)90101-1","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001555","9.896","0.001","9.896","0.001","9.896","0.001","90","","90","","90","","969.1","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium tecto-vanadatophosphate *","","- K7.333 O48.667 P12 V10 -","- K7.3332 O48.6668 P12 V10.0004 -","- K7.3332 O48.6668 P12 V10.0004 -","1","0.0833333","","Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","Langbeinite, a host lattice for ""V~3~O"" clusters: the trivalent vanadium phosphate K~11~V~15~P~18~O~73~","Journal of Solid State Chemistry","1992","97","","314","318","10.1016/0022-4596(92)90039-X","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007058","9.77","0.006","9.77","0.006","9.77","0.006","90","","90","","90","","932.6","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Potassium dititanium phosphate","","- K O12 P3 Ti2 -","- K O12 P3 Ti2 -","- K4 O48 P12 Ti8 -","4","0.333333","","Masse, R; Durif, A; Guitel, J C; Tordjman, I","Structure cristalline du monophosphate lacunaire K Ti~2~ (P O~4~)~3~. Monophosphates lacunaires Nb Ge (P O~4~)~3~ et M(V) Ti (P O~4~)~3~ pour M(V) = Sb, Nb, Ta","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1972","95","","47","55","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007067","8.192","0.003","8.192","0.003","8.192","0.003","90","","90","","90","","549.8","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Trimanganese(IV) dilithium zinc oxide","","- Li2 Mn3 O8 Zn -","- Li2 Mn3 O8 Zn -","- Li8 Mn12 O32 Zn4 -","4","0.333333","","Joubert, J C; Durif, A","Etude de deux types d'ordre dans le spinelle Mn~3~ Li~2~ Zn O~8~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","258","","4482","4485","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008246","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","PALLADIUM FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.333333","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010034","4.62","0.002","4.62","0.002","4.62","0.002","90","","90","","90","","98.6","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Chromium silicide (1/1)","","- Cr Si -","- Cr Si -","- Cr4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010035","4.548","0.002","4.548","0.002","4.548","0.002","90","","90","","90","","94.1","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Manganese silicide (1/1) - $-epsilon","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010036","4.438","","4.438","","4.438","","90","","90","","90","","87.4","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Cobalt silicide(-II) - $-epsilon *","","- Co Si -","- Co Si -","- Co4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel.","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","1","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010057","6.55","","6.55","","6.55","","90","","90","","90","","281","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","SODIUM CHLORATE","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Kolkmeijer, N H; Bijvoet, J M; Karssen, A","Investigation by means of X-Rays of the crystal structure of sodium- chlorate and sodium-bromate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1920","23","","644","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010058","6.74","","6.74","","6.74","","90","","90","","90","","306.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","SODIUM BROMATE","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Kolkmeijer, N H; Bijvoet, J M; Karssen, A","Investigation by means of X-Rays of the crystal structure of sodium- chlorate and sodium-bromate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1920","23","","644","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010111","7.48","0.01","7.48","0.01","7.48","0.01","90","","90","","90","","418.5","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Disodium calcium silicate","","- Ca Na2 O4 Si -","- Ca Na2 O4 Si -","- Ca4 Na8 O16 Si4 -","4","0.333333","","Barth, T. F. W.; Posnjak, E.","Silicate structures of the cristobalite type: II. The crystal structure of Na~2~ Ca Si O~4~","Zeitschrift für Kristallographie - Crystalline Materials","1932","81","1","370","375","10.1524/zkri.1932.81.1.370","","","","","","","","","","","","","","","","","","","","","has coordinates","135400","2020-10-21","18:00:00",""
"1010216","6.57","0.006","6.57","0.006","6.57","0.006","90","","90","","90","","283.6","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Zachariasen, W H","The Crystal Structure of Sodium Chlorate.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1929","71","","517","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010305","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Carbon(II) oxide","","- C O -","- C O -","- C4 O4 -","4","0.333333","","Vegard, L","Struktur und Leuchtfaehigkeit von festem Kohlenoxyd.","Zeitschrift fuer Physik","1930","61","","185","190","10.1007/BF01339658","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010377","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010378","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Dickinson, R G; Goodhue, E A","The Crystal Structures of Sodium Chlorate and Sodium Bromate","Journal of the American Chemical Society","1921","43","","2045","2055","10.1021/ja01442a008","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010446","6.71","","6.71","","6.71","","90","","90","","90","","302.1","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Hamilton, J E","The Crystal Structure of Sodium Bromate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1938","100","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010485","6.56","","6.56","","6.56","","90","","90","","90","","282.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Wulff, G","Ueber die Struktur des Natriumchlorats.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1922","57","","190","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010490","5.193","","5.193","","5.193","","90","","90","","90","","140","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Ammonia","","- H3 N -","- H3 N -","- H12 N4 -","4","0.333333","","Mark, H; Pohland, E","Das Gitter des Ammoniaks.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1925","61","","532","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010511","6.72","","6.72","","6.72","","90","","90","","90","","303.5","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010512","6.58","","6.58","","6.58","","90","","90","","90","","284.9","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010513","6.55","","6.55","","6.55","","90","","90","","90","","281","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Kiby, W","Die Kristallstruktur von ""Natriumchlorat"" (Na Cl O~3~).","Zeitschrift fuer Physik","1923","17","","213","250","10.1007/BF01328680","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010921","7.16","","7.16","","7.16","","90","","90","","90","","367.1","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Silicon oxide","Cristobalite high","- O2 Si -","- O2 Si -","- O16 Si8 -","8","0.666667","","Barth, T F W","The Cristobalite Structures. I. High-Cristobalite","American Journal of Science, Serie 5(1,1921-1938)","1932","23","","350","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010953","7.37","0.02","7.37","0.02","7.37","0.02","90","","90","","90","","400.3","","","","","","","","","","","","artificial","4","P 21 3","P 2ac 2ab 3","198","","Sodium aluminate silicate *","Carnegieite high","- Al Na O4 Si -","- Al Na O4 Si -","- Al4 Na4 O16 Si4 -","4","0.333333","","Barth, Tom F. W.; Posnjak, E.","Silicate structures of the cristobalite type: III. Structural relationship of high-cristobalite, α-Carnegieite, and Na~2~SiO~4~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","1","376","385","10.1524/zkri.1932.81.1.376","","","","","","","","","","","","","","","","","","","","","has coordinates","200076","2020-10-21","18:00:00",""
"1010957","7.37","","7.37","","7.37","","90","","90","","90","","400.3","","","","","","","","","","","","\a - artificial","4","P 21 3","P 2ac 2ab 3","198","","Sodium aluminium silicate","Carnegieite","- Al Na O4 Si -","- Al Na O4 Si -","- Al4 Na4 O16 Si4 -","4","0.333333","","Barth, Tom F. W.; Posnjak, E.","Silicate structures of the cristobalite type: I. The crystal structure of α-carnegieite (NaAlSiO~4~)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","81","1","135","141","10.1524/zkri.1932.81.1.135","","","","","","","","","","","","","","","","","","","","","has coordinates","200078","2020-10-21","18:00:00",""
"1011234","5.724","0.005","5.724","","5.724","","90","","90","","90","","187.5","","","","","","","","","","","","from Carinthia, Austria","4","P 21 3","P 2ac 2ab 3","198","","Nickel arsenic antimony sulfide (1/0.1/0.9/1)","Ullmannite (As)","- As0.1 Ni S Sb0.9 -","- As0.1 Ni S Sb0.9 -","- As0.4 Ni4 S4 Sb3.6 -","4","0.333333","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011343","4.467","","4.467","","4.467","","90","","90","","90","","89.1","","","","","","","","","","","","synthetic","2","P 21 3","P 2ac 2ab 3","198","","Iron silicide (1/1)","Fersilicite","- Fe Si -","- Fe Si -","- Fe4 Si4 -","4","0.333333","","Wever, F; Moeller, H","Ueber den Kristallbau des Eisensilizides Fe Si","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","362","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100412","13.057","0.001","13.057","0.001","13.057","0.001","90","","90","","90","","2226.03","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H36 In N Sn3 -","- C12 H36 In N Sn3 -","- C48 H144 In4 N4 Sn12 -","4","0.333333","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100453","15.587","0.003","15.587","0.003","15.587","0.003","90","","90","","90","","3786.93","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C9 H28 I N Sn3 -","- C9 H28 I N Sn3 -","- C72 H224 I8 N8 Sn24 -","8","0.666667","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","177947","2020-10-21","18:00:00",""
"1504720","27.6038","0.0002","27.6038","0.0002","27.6038","0.0002","90","","90","","90","","21033.3","0.3","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","CBPh diamine diiodide","CBPh diamine diiodide hydrate","","- C52 H94 I2 N26 O28 -","- C52 H64 I N26 O13 -","- C624 H768 I12 N312 O156 -","12","1","","Huang, Wei-Hao; Zavalij, Peter Y.; Isaacs, Lyle","Folding of long-chain alkanediammonium ions promoted by a cucurbituril derivative.","Organic letters","2008","10","12","2577","2580","10.1021/ol800893n","","","0.71073","MoKα","","0.076","0.0723","","","0.1807","0.1835","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509938","10.5547","","10.5547","","10.5547","","90","","90","","90","","1175.81","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ag6 Hg0.82 Ge S5.82","","- Ag6 Ge Hg0.82 S5.82 -","- Ag6 Ge Hg0.82 S5.82 -","- Ag24 Ge4 Hg3.28 S23.28 -","4","0.333333","","Parasyuk, O.V.; Gulay, L.D.","Crystal structure of the Ag6 Hg0.82 Ge S5.82 compound","Journal of Alloys Compd.","2001","327","","100","103","10.1016/S0925-8388(01)01424-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509942","10.5055","","10.5055","","10.5055","","90","","90","","90","","1159.44","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ag6 Hg0.897 Si S5.897","","- Ag6 Hg0.897 S5.897 Si -","- Ag6 Hg0.897 S5.897 Si -","- Ag24 Hg3.588 S23.588 Si4 -","4","0.333333","","Gulay, L.D.; Parasyuk, O.V.; Olekseyuk, I.D.","Crystal structures of the Cu6 Hg0.973 Si S5.973 and Ag6 Hg0.897 Si S5.897 compounds","Journal of Alloys Compd.","2002","335","","111","114","10.1016/S0925-8388(01)01807-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510018","7.929","","7.929","","7.929","","90","","90","","90","","498.489","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","(Ag3 S) (N O3)","","- Ag3 N O3 S -","- Ag3 N O3 S -","- Ag12 N4 O12 S4 -","4","0.333333","","Bergerhoff, G.","Die Kristallstruktur des Argentosulfoniumnitrats, (Ag3 S) (N O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1959","299","","328","337","10.1002/zaac.19592990511","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510595","4.668","","4.668","","4.668","","90","","90","","90","","101.717","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Au Be -","- Au Be -","- Au4 Be4 -","4","0.333333","","Cullity, B.D.","The crystal structure of Au Be","Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers","1947","171","","396","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1515909","12.0262","0.0004","12.0262","0.0004","12.0262","0.0004","90","","90","","90","","1739.34","0.1","100","1","100","1","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Co N4 -","- C12 H30 Br2 Co N4 -","- C48 H120 Br8 Co4 N16 -","4","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0282","0.0212","","","0.0288","0.0295","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520906","9.79","","9.79","","9.79","","90","","90","","90","","938.314","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- K3 Sb Se3 -","- K3 Sb Se3 -","- K12 Sb4 Se12 -","4","0.333333","","Bronger, W.; Donike, A.; Schmitz, D.","K3 Sb Se3, Rb3 Sb Se3 und Cs3 Sb Se3 - Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1520907","10.152","","10.152","","10.152","","90","","90","","90","","1046.3","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Rb3 Sb Se3 -","- Rb3 Sb Se3 -","- Rb12 Sb4 Se12 -","4","0.333333","","Bronger, W.; Donike, A.; Schmitz, D.","K3 Sb Se3, Rb3 Sb Se3 und Cs3 Sb Se3 - Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1520909","10.592","","10.592","","10.592","","90","","90","","90","","1188.32","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Cs3 Sb Se3 -","- Cs3 Sb Se3 -","- Cs12 Sb4 Se12 -","4","0.333333","","Bronger, W.; Schmitz, D.; Donike, A.","K3 Sb Se3, Rb3 Sb Se3 und Cs3 Sb Se3 - Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","435","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521415","10.527","","10.527","","10.527","","90","","90","","90","","1166.58","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Ce (Zr O4)","","- Ce O4 Zr -","- Ce O4 Zr -","- Ce16 O64 Zr16 -","16","1.33333","","Kishimoto, H.; Omata, T.; Otsuka-Yao-Matsuo, S.; Ueda, K.; Hosono, H.; Kawazoe, H.","Crystal structure of metastable kappa-(Ce Zr O4) phase possessing an order arrangement of Ce and Zr ions","Journal of Alloys Compd.","2000","312","","94","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521861","8.379","","8.379","","8.379","","90","","90","","90","","588.27","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg3 (As O4) Cl","","- As Cl Hg3 O4 -","- As Cl Hg3 O4 -","- As4 Cl4 Hg12 O16 -","4","0.333333","","Romanenko, G.V.; Pervukhina, N.V.; Magarill, S.A.; Borisov, S.V.; Vasil'ev, V.I.","Crystal structure of kuznetsovite Hg3 (As O4) Cl","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1999","40","","324","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523317","6.9227","","6.9227","","6.9227","","90","","90","","90","","331.762","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Al Au4 -","- Al Au4 -","- Al4 Au16 -","4","0.333333","","Buechler, H.; Range, K.J.","Zur Kenntnis des beta-Mangan-Typs: Hochdrucksynthese und Strukturverfeinerung von Al Au4","Journal of the Less-Common Metals","1990","161","","347","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523358","6.439","","6.439","","6.439","","90","","90","","90","","266.966","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Fe Pt Sb -","- Fe Pt Sb -","- Fe4 Pt4 Sb4 -","4","0.333333","","Buschow, K.H.J.; van Vucht, J.H.N.; van Engen, P.G.; de Mooij, B.D.; van der Kraan, A.M.","Structure, magnetic and magneto-optical properties, and 57Fe Moessbauer effect in a new variety of Heusler alloy: Pt Fe Sb","Physica Status Solidi, Sectio A: Applied Research","1983","75","","617","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524803","4.689","","4.689","","4.689","","90","","90","","90","","103.096","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Fe Ge -","- Fe Ge -","- Fe4 Ge4 -","4","0.333333","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic Fe Ge studied by small-angle neutron scatttering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525573","6.72785","","6.72785","","6.72785","","90","","90","","90","","304.529","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Sr (O H) Br","","- Br H O Sr -","- Br H O Sr -","- Br4 H4 O4 Sr4 -","4","0.333333","","Altorfer, F.; Peter, S.; Lutz, H.D.","Investigation of (O H) disorder in Sr (O H) Br","Physik (Berlin)","2000","276","","280","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526395","8.379","","8.379","","8.379","","90","","90","","90","","588.27","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg3 (As O4) Cl","","- As Cl Hg3 O4 -","- As Cl Hg3 O4 -","- As4 Cl4 Hg12 O16 -","4","0.333333","","Romanenko, G.V.; Borisov, S.V.","Microtwinning in the crystal structure of kuznetsovite Hg3 As O4 Cl","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2000","41","","1078","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526446","9.837","","9.837","","9.837","","90","","90","","90","","951.893","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na2 Fe Ti (P O4)3","","- Fe Na2 O12 P3 Ti -","- Fe Na2 O12 P3 Ti -","- Fe4 Na8 O48 P12 Ti4 -","4","0.333333","","Isasi, J.; Daidouh, A.","Synthesis, structure and conductivity study of new monovalent phosphates with the langbeinite structure","Solid State Ionics","2000","133","","303","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526448","9.775","","9.775","","9.775","","90","","90","","90","","934.007","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na2 Cr Ti (P O4)3","","- Cr Na2 O12 P3 Ti -","- Cr Na2 O12 P3 Ti -","- Cr4 Na8 O48 P12 Ti4 -","4","0.333333","","Isasi, J.; Daidouh, A.","Synthesis, structure and conductivity study of new monovalent phosphates with the langbeinite structure","Solid State Ionics","2000","133","","303","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527354","6.747","","6.747","","6.747","","90","","90","","90","","307.137","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ba Ge Pt -","- Ba Ge Pt -","- Ba4 Ge4 Pt4 -","4","0.333333","","Evers, J.; Sendlinger, B.; Oehlinger, G.; Polborn, K.","Ternaere Phasen M Pt Ge (M= Ca, Eu, Sr, Ba) im La Ir Si- und im Ti Ni Si-Typ","Journal of Alloys Compd.","1992","182","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527355","6.551","","6.551","","6.551","","90","","90","","90","","281.14","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Eu Ge Pt -","- Eu Ge Pt -","- Eu4 Ge4 Pt4 -","4","0.333333","","Evers, J.; Oehlinger, G.; Polborn, K.; Sendlinger, B.","Ternaere Phasen M Pt Ge (M= Ca, Eu, Sr, Ba) im La Ir Si- und im Ti Ni Si-Typ","Journal of Alloys Compd.","1992","182","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527407","10.036","","10.036","","10.036","","90","","90","","90","","1010.84","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","(N H4)2 Zn2 (Be F4)3","","- Be3 F12 H8 N2 Zn2 -","- Be3 F12 H8 N2 Zn2 -","- Be12 F48 H32 N8 Zn8 -","4","0.333333","","Genty, M.; le Fur, Y.; Aleonard, S.","Nouveaux fluoroberyllates de structure langbeinite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","237","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527603","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","1","P 21 3","P 2ac 2ab 3","198","","","","- N2 -","- N2 -","- N8 -","4","0.333333","","Jordan, T.H.; Smith, H.W.; Streib, W.E.; Lipscomb, W.N.","Single-crystal X-Ray diffraction studies of alpha-N2 and beta-N2","Journal of Chemical Physics","1964","41","","756","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527671","4.729","","4.729","","4.729","","90","","90","","90","","105.757","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Os Si -","- Os Si -","- Os4 Si4 -","4","0.333333","","Korst, W.L.; Searcy, A.W.; Finnie, L.N.","The crystal structures of the monosilicides of osmium, iridium and ruthenium","Journal of Physical Chemistry","1957","61","","1541","1543","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528249","10.91","","10.91","","10.91","","90","","90","","90","","1298.6","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- K9 Ni2 O7 -","- K9 Ni2 O7 -","- K36 Ni8 O28 -","4","0.333333","","Zentgraf, H.; Hoppe, R.","Ueber neue Oxoniccolate: Zur Kenntnis von K9 Ni2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","80","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528263","9.875","","9.875","","9.875","","90","","90","","90","","962.967","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K2 Mg2 (Be F4)3","","- Be3 F12 K2 Mg2 -","- Be3 F12 K2 Mg2 -","- Be12 F48 K8 Mg8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150258","2020-10-21","18:00:00",""
"1528264","9.932","","9.932","","9.932","","90","","90","","90","","979.738","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K2 Zn2 (Be F4)3","","- Be3 F12 K2 Zn2 -","- Be3 F12 K2 Zn2 -","- Be12 F48 K8 Zn8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150259","2020-10-21","18:00:00",""
"1528265","10.385","","10.385","","10.385","","90","","90","","90","","1120","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Rb2 Cd2 (Be F4)3","","- Be3 Cd2 F12 Rb2 -","- Be3 Cd2 F12 Rb2 -","- Be12 Cd8 F48 Rb8 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150260","2020-10-21","18:00:00",""
"1528266","10.672","","10.672","","10.672","","90","","90","","90","","1215.45","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cs2 Ca2 (Be F4)3","","- Be3 Ca2 Cs2 F12 -","- Be3 Ca2 Cs2 F12 -","- Be12 Ca8 Cs8 F48 -","4","0.333333","","le Fur, Y.; Aleonard, S.","Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite","Materials Research Bulletin","1969","4","","601","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","150261","2020-10-21","18:00:00",""
"1528721","7.13952","","7.13952","","7.13952","","90","","90","","90","","363.921","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo0.5 W1.5 O9","","- La2 Mo0.5 O9 W1.5 -","- La2 Mo0.5 O8.84 W1.5 -","- La4 Mo O17.68 W3 -","2","0.166667","","Marrero-Lopez, D.; Canales-Vazquez, J.; Irvine, J.T.S.; Zhou Wuzong; Nunez, P.","Structural studies on W(6+) and Nd(3+) substituted La2 Mo2 O9 materials","Journal of Solid State Chemistry","2006","179","","278","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","151324","2020-10-21","18:00:00",""
"1529597","9.8732","","9.8732","","9.8732","","90","","90","","90","","962.44","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba Fe2 (P O4)3","","- Ba Fe2 K O12 P3 -","- Ba Fe2 K O12 P3 -","- Ba4 Fe8 K4 O48 P12 -","4","0.333333","","Battle, P.D.; Harrison, W.T.A.; Cheetham, A.K.; Long, G.J.","The crystal structure and magnetic properties of the synthetic Langbeinite K Ba Fe2 (P O4)3","Journal of Solid State Chemistry","1986","62","","16","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529599","9.789","","9.789","","9.789","","90","","90","","90","","938.026","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba Cr2 (P O4)3","","- Ba Cr2 K O12 P3 -","- Ba Cr2 K O12 P3 -","- Ba4 Cr8 K4 O48 P12 -","4","0.333333","","Battle, P.D.; Gibb, T.C.; Harrison, W.T.A.; Nixon, S.","The magnetic properties of the synthetic langbeinite K Ba Cr2 (P O4)3","Journal of Solid State Chemistry","1988","75","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529605","10.559","","10.559","","10.559","","90","","90","","90","","1177.25","","","","","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Na (Sr.77 Ba.20) (P O4) (H2 O)9","","- Ba0.2 H18 Na O13 P Sr0.77 -","- Ba0.2 H18 Na O13.001 P Sr0.77 -","- Ba0.8 H72 Na4 O52.004 P4 Sr3.08 -","4","0.333333","","Baturin, S.V.; Malinovskii, Yu.A.; Belov, N.V.","The crystal structure of Nastrophite Na (Sr, Ba) (P O4) (H2 O)9","Doklady Akademii Nauk SSSR","1981","261","","619","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529673","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Ni As S","","- As Ni S -","- As Ni S -","- As4 Ni4 S4 -","4","0.333333","","Bokii, G.B.; Tsinober, L.I.","The X-ray structure analysis of Cobaltine, Gersdorffite and Ulmanite","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1954","9","","239","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531460","9.8938","","9.8938","","9.8938","","90","","90","","90","","968.477","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cu6 Hg0.973 Si S5.973","","- Cu6 Hg0.973 S5.973 Si -","- Cu6 Hg0.973 S5.973 Si -","- Cu24 Hg3.892 S23.892 Si4 -","4","0.333333","","Gulay, L.D.; Parasyuk, O.V.; Olekseyuk, I.D.","Crystal structures of the Cu6 Hg0.973 Si S5.973 and Ag6 Hg0.897 Si S5.897 compounds","Journal of Alloys Compd.","2002","335","","111","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531734","9.9988","","9.9988","","9.9988","","90","","90","","90","","999.64","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cu6 Hg0.92 Ge S5.92","","- Cu6 Ge Hg0.92 S5.92 -","- Cu6 Ge Hg0.92 S5.92 -","- Cu24 Ge4 Hg3.68 S23.68 -","4","0.333333","","Marchuk, O.V.; Gulay, L.D.; Parasyuk, O.V.","The (Cu2 S) - (Hg S) - (Ge S2) system at 670 K and the crystal structure of the Cu6 Hg0.92 Ge S5.92 compound","Journal of Alloys Compd.","2002","333","","143","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531865","10.02794","","10.02794","","10.02794","","90","","90","","90","","1008.41","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na Ba In2 (P O4)3","","- Ba In2 Na O12 P3 -","- Ba1.017 In2 Na0.983 O12 P3 -","- Ba4.068 In8 Na3.932 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531868","10.12268","","10.12268","","10.12268","","90","","90","","90","","1037.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba In2 (P O4)3","","- Ba In2 K O12 P3 -","- Ba1.068 In2 K0.93 O12 P3 -","- Ba4.272 In8 K3.72 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531871","10.22854","","10.22854","","10.22854","","90","","90","","90","","1070.14","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Ba In2 (P O4)3","","- Ba Cs In2 O12 P3 -","- Ba Cs In2 O12 P3 -","- Ba4 Cs4 In8 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Rulmont, A.; Liegeois-Duyckaerts, M.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531893","10.164","","10.164","","10.164","","90","","90","","90","","1050.01","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K2 (Cd0.845 Mn1.155) (S O4)3","","- Cd0.845 K2 Mn1.155 O12 S3 -","- Cd0.845 K2 Mn1.155 O12 S3 -","- Cd3.38 K8 Mn4.62 O48 S12 -","4","0.333333","","Magome, E.; Itoh, K.; Moriyoshi, C.; Vlokh, R.","X-ray structure analysis of K2 Cd2x Mn2(1-x) (S O4)3 mixed crystal in the high-temperature phase","Ferroelectrics","2002","269","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","157477","2020-10-21","18:00:00",""
"1532006","10.0554","","10.0554","","10.0554","","90","","90","","90","","1016.71","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K2 (Fe Zr (P O4)3)","","- Fe K2 O12 P3 Zr -","- Fe K2 O12 P3 Zr -","- Fe4 K8 O48 P12 Zr4 -","4","0.333333","","Orlova, A.I.; Trubach, I.G.; Pertierra, P.; Kurazhkovskaya, V.S.; Khainakov, S.A.; Salvado, M.A.; Garcia-Granda, S.; Garcia, J.R.","Synthesis, characterization and structural study of K2 Fe Zr P3 O12 with the langbeinite structure","Journal of Solid State Chemistry","2003","173","","314","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532690","9.917","","9.917","","9.917","","90","","90","","90","","975.306","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K7.33 Fe10 (P O4)12 O0.66","","- Fe10 K7.33 O48.66 P12 -","- Fe10.004 K7.332 O48.668 P12 -","- Fe10.004 K7.332 O48.668 P12 -","1","0.0833333","","Lajmi, B.; Hidouri, M.; Wattiaux, A.; Fournes, L.; Darriet, J.; Ben Amara, M.","Crystal structure, Mossbauer spectroscopy and magnetic properties of a new potassium iron oxyphosphate K11 Fe15 (P O4)18 O related to the langbeinite-like compounds","Journal of Alloys Compd.","2003","361","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","158646","2020-10-21","18:00:00",""
"1533171","7.091771","","7.091771","","7.091771","","90","","90","","90","","356.668","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","(N D3) (D2 O)2","","- D7 N O2 -","- D7 N O2 -","- D28 N4 O8 -","4","0.333333","","Fortes, A.D.; Wood, I.G.; Brodholt, J.P.; Alfredsson, M.; Knight, K.S.; Vocadlo, L.; McGrady, G.S.","A high-resolution neutron powder diffraction study of ammonia dihydrate ((N D3) * 2(D2 O)) phase I","Journal of Chemical Physics","2003","119","","10806","10813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533303","12.427","","12.427","","12.427","","90","","90","","90","","1919.11","","","","","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","K (Be B P2 O8) (H2 O)0.333","","- B Be H0.666 K O8.333 P2 -","- B Be K O8.33333 P2 -","- B12 Be12 K12 O100 P24 -","12","1","","Zhang Haoyu; Chen Zhenxia; Weng Linhong; Zhou Yaming; Zhao Dongyuan","Hydrothermal synthesis of new berylloborophosphates M(I) Be B P O (M(I) = K(+), Na(+) and (N H4)(+)) with zeolite ANA framework topology","Microporous and Mesoporous Materials","2003","57","","309","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533392","7.2351","","7.2351","","7.2351","","90","","90","","90","","378.733","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","La2 (Mo2 O9)","","- La2 Mo2 O9 -","- La2 Mo2 O8.96 -","- La4 Mo4 O17.92 -","2","0.166667","","Georges, S.; Sheptyakov, D.; Goutenoire, F.; Altorfer, F.; Fauth, F.; Lacorre, P.; Suard, E.","Thermal, structural and transport properties of the fast oxide-ion conductors La2-x Rx Mo2 O9 (R= Nd, Gd, Y)","Solid State Ionics","2003","161","","231","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","159630","2020-10-21","18:00:00",""
"1533395","7.1491","","7.1491","","7.1491","","90","","90","","90","","365.388","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","(La1.9 Y0.1) (Mo2 O9)","","- La1.9 Mo2 O9 Y0.1 -","- La1.9 Mo2 O8.96 Y0.1 -","- La3.8 Mo4 O17.92 Y0.2 -","2","0.166667","","Georges, S.; Goutenoire, F.; Sheptyakov, D.; Altorfer, F.; Lacorre, P.; Fauth, F.; Suard, E.","Thermal, structural and transport properties of the fast oxide-ion conductors La2-x Rx Mo2 O9 (R = Nd, Gd, Y)","Solid State Ionics","2003","161","","231","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","159633","2020-10-21","18:00:00",""
"1534148","9.932","","9.932","","9.932","","90","","90","","90","","979.738","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K2 Zn2 (Be F4)3","","- Be3 F12 K2 Zn2 -","- Be3 F12 K2 Zn2 -","- Be12 F48 K8 Zn8 -","4","0.333333","","Aleonard, S.; le Fur, Y.","Fluoroberyllates de structure Langbeinite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","168","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","160643","2020-10-21","18:00:00",""
"1534365","12.0424","","12.0424","","12.0424","","90","","90","","90","","1746.38","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cs2 Mg2 (P6 O18)","","- Cs2 Mg2 O18 P6 -","- Cs2 Mg2 O18 P6 -","- Cs8 Mg8 O72 P24 -","4","0.333333","","Chudinova, N.N.; Murashova, E.V.; Ilyukhin, A.B.","Double cyclohexaphosphates of cesium and divalent metals","Neorganicheskie Materialy","2003","39","","1499","1503","","","","","","","","","","","","","","","","","","","","","","has coordinates","161030","2020-10-21","18:00:00",""
"1534366","12.0233","","12.0233","","12.0233","","90","","90","","90","","1738.08","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Cs2 Zn2 (P6 O18)","","- Cs2 O18 P6 Zn2 -","- Cs2 O18 P6 Zn2 -","- Cs8 O72 P24 Zn8 -","4","0.333333","","Chudinova, N.N.; Ilyukhin, A.B.; Murashova, E.V.","Double cyclohexaphosphates of cesium and divalent metals","Neorganicheskie Materialy","2003","39","","1499","1503","","","","","","","","","","","","","","","","","","","","","","has coordinates","161031","2020-10-21","18:00:00",""
"1534946","9.761","","9.761","","9.761","","90","","90","","90","","930","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K1.388 Ti1.612 (Ti0.273 Al0.115) (P O4)3","","- Al0.115 K1.388 O12 P3 Ti1.885 -","- Al0.115 K1.388 O12 P3 Ti1.885 -","- Al0.46 K5.552 O48 P12 Ti7.54 -","4","0.333333","","Slobodyanik, N.S.; Stus', N.V.; Nagornyi, P.G.; Kapshuk, A.A.","Double potassium titanium phosphate with langbeinit structure","Zhurnal Neorganicheskoi Khimii","1991","36","","2772","2775","","","","","","","","","","","","","","","","","","","","","","has coordinates","162029","2020-10-21","18:00:00",""
"1535022","8.4013","","8.4013","","8.4013","","90","","90","","90","","592.979","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg (Hg2) (As O4) Cl","","- As Cl Hg3 O4 -","- As Cl Hg3 O4 -","- As4 Cl4 Hg12 O16 -","4","0.333333","","Solov'eva, L.P.; Tsybulya, S.V.; Zabolotnyi, V.A.; Pal'chik, N.A.","Determination and refinement of the structure of the kuznetsovite mineral from powder diffraction data","Kristallografiya","1991","36","","1292","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535241","6.2915","","6.2915","","6.2915","","90","","90","","90","","249.036","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ce Ir Si -","- Ce Ir Si -","- Ce4 Ir4 Si4 -","4","0.333333","","Heying, B.; Valldor, M.; Poettgen, R.; Rodewald, U.C.; Hoffmann, R.D.; Mishra, R.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536043","13.354","","13.354","","13.354","","90","","90","","90","","2381.41","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Li3 (La2 (N O3)9) (H2 O)3","","- H6 La2 Li3 N9 O30 -","- H6 La2 Li3 N9 O30 -","- H24 La8 Li12 N36 O120 -","4","0.333333","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.; Verin, I.A.","Synthesis and X-ray structural study of lithium rare-earth nitrates Li3(Ln2(NO3)9)*3H2O, where Ln=La,Nd","Kristallografiya","1991","36","","1395","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","163616","2020-10-21","18:00:00",""
"1536045","13.22","","13.22","","13.22","","90","","90","","90","","2310.44","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Li3 (Nd2 (N O3)9) (H2 O)3","","- H6 Li3 N9 Nd2 O30 -","- H6 Li3 N9 Nd2 O30 -","- H24 Li12 N36 Nd8 O120 -","4","0.333333","","Vigdorchik, A.G.; Verin, I.A.; Dryuchko, A.G.; Malinovskii, Yu.A.","Synthesis and X-ray structural study of lithium rare-earth nitrates Li3(Ln2(NO3)9)*3H2O, where Ln=La,Nd","Kristallografiya","1991","36","","1395","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","163620","2020-10-21","18:00:00",""
"1536521","5.908","","5.908","","5.908","","90","","90","","90","","206.216","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Ni Sb S","","- Ni S Sb -","- Ni S Sb -","- Ni4 S4 Sb4 -","4","0.333333","","Peacock, M.A.; Henry, W.G.","The crystal structure of cobaltite Co As S, gersdorffite Ni As S, and ullmannite Ni Sb S","University of Toronto Studies, Geological Series","1948","52","","71","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536528","4.523","","4.523","","4.523","","90","","90","","90","","92.529","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Si5 C3","","- C3 Si5 -","- C2.96 Si5.04 -","- C2.96 Si5.04 -","1","0.0833333","","Khaenko, B.V.; Prilutskii, E.V.; Krainikov, A.V.; Mikhailik, A.A.; Karpets, M.V.","State and crystal structure of the products of interaction between Si C and Si O2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","164268","2020-10-21","18:00:00",""
"1536574","20.7572","","20.7572","","20.7572","","90","","90","","90","","8943.47","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Y (H2 O))3 (C O3)) (H2 O)19","","- C H44 As2 K10 Na O93 W18 Y3 -","- C As2 K10 Na O93 W18 Y3 -","- C4 As8 K40 Na4 O372 W72 Y12 -","4","0.333333","","Khoshnavazi, R.; Moaser, A.G.; Salimi, A.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536576","20.8529","","20.8529","","20.8529","","90","","90","","90","","9067.75","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Sm (H2 O))3 (C O3)) (H2 O)22","","- C H50 As2 K10 Na O96 Sm3 W18 -","- C As2 K10.01 Na O95.99 Sm3 W18 -","- C4 As8 K40.04 Na4 O383.96 Sm12 W72 -","4","0.333333","","Khoshnavazi, R.; Salimi, A.; Moaser, A.G.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536731","8.375","","8.375","","8.375","","90","","90","","90","","587.428","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Na2 (Se Mo O6)","","- Mo Na2 O6 Se -","- Mo Na2 O6 Se -","- Mo4 Na8 O24 Se4 -","4","0.333333","","Porter, Y.; Halasyamani, P.S.","New alkali-metal - molybdenum(VI) - selenium(IV) oxides: syntheses, structures and characterization of A2 Se Mo O6 (A = Na(+), K(+) or Rb(+))","Journal of Solid State Chemistry","2003","174","","441","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537113","10.112","","10.112","","10.112","","90","","90","","90","","1033.98","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Na3 (P6 N11)","","- N11 Na3 P6 -","- N11 Na3 P6 -","- N44 Na12 P24 -","4","0.333333","","Ronis, Ya.V.; Bondars, B.Ya.; Vitola, A.A.; Miller, T.N.","Crystal structure of sodium-phosphorus nitride Na3 P6 N11","Latvijas PSR Zinatnu Akademijas Vestis, Khimijas Serija","1990","1990","","299","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","165128","2020-10-21","18:00:00",""
"1538742","5.134","","5.134","","5.134","","90","","90","","90","","135.322","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Rh Sn -","- Rh Sn -","- Rh4 Sn4 -","4","0.333333","","Nial, O.","X-ray studies on binary alloys of tin with transition metals","Svensk Kemisk Tidskrift","1947","59","","172","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539382","10.3528","","10.3528","","10.3528","","90","","90","","90","","1109.62","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Pr K2 Zr (P O4)3","","- K2 O12 P3 Pr Zr -","- K2 O12 P3 Pr Zr -","- K8 O48 P12 Pr4 Zr4 -","4","0.333333","","Trubach, I.G.; Orlova, A.I.; Beskrovnyi, A.I.; Orlova, V.A.; Kurazhkovskaya, V.S.","Synthesis and investigation of new phosphates K2 Ln Zr (P O4)3 (Ln= Ce- Yb, Y) with langbeinite structure","Kristallografiya","2004","49","","692","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539386","10.1199","","10.1199","","10.1199","","90","","90","","90","","1036.4","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Rb2 Fe Zr (P O4)3","","- Fe O12 P3 Rb2 Zr -","- Fe O12 P3 Rb2 Zr -","- Fe4 O48 P12 Rb8 Zr4 -","4","0.333333","","Trubach, I.G.; Beskrovnyi, A.I.; Orlova, A.I.; Orlova, V.A.; Kurazhkovskaya, V.S.","Synthesis and structural study of the Rb2 Fe Zr (P O4)3 phosphate with langbeinite structure","Kristallografiya","2004","49","","991","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539667","10.3745","","10.3745","","10.3745","","90","","90","","90","","1116.61","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Tl2 Cd2 (S O4)3","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","0.333333","","Cao, H.; Dalley, N.K.; Boerio-Goates, J.","Calorimetric and structural studies of langbeinite-type Tl2 Cd2 (S O4)3","Ferroelectrics","1993","146","","45","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","168651","2020-10-21","18:00:00",""
"1540122","6.8953","","6.8953","","6.8953","","90","","90","","90","","327.838","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Mg Ni Sr D4","","- D4 Mg Ni Sr -","- D4 Mg Ni Sr -","- D16 Mg4 Ni4 Sr4 -","4","0.333333","","Huang, B.; Yvon, K.; Fischer, P.","New quaternary metal hydrides with CaMgNiH4-type structure","Journal of Alloys Compd.","1994","204","","L5","L8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540123","6.8486","","6.8486","","6.8486","","90","","90","","90","","321.222","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Eu Mg Ni H4","","- Eu H4 Mg Ni -","- Eu H4 Mg Ni -","- Eu4 H16 Mg4 Ni4 -","4","0.333333","","Huang, B.; Fischer, P.; Yvon, K.","New quaternary metal hydrides with CaMgNiH4-type structure","Journal of Alloys Compd.","1994","204","","L5","L8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540815","6.902","","6.902","","6.902","","90","","90","","90","","328.795","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Al Au4 -","- Al Au4 -","- Al4 Au16 -","4","0.333333","","Ullner, O.E.","X-ray analysis of gold-aluminium alloys","Arkiv foer Kemi, Mineralogi och Geologi","1940","14","","1","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542251","9.26","","9.26","","9.26","","90","","90","","90","","794.023","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Hg3 O Cl4","","- Cl4 Hg3 O -","- Cl4 Hg3 O -","- Cl16 Hg12 O4 -","4","0.333333","","Weiss, A.; Nagorsen, G.","Ueber Quecksilberoxyhalogenide. II. Die Kristallstruktur des Trichloro-triquecksilber(II)-oxoniumchlorids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1953","274","","151","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542746","27.1499","0.0001","27.1499","0.0001","27.1499","0.0001","90","","90","","90","","20012.7","0.13","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C48 H191 Co5 N40 O126 Sb9 W24 -","- C48 H93 Co5 N39.98 O120.01 Sb9 W24 -","- C192 H372 Co20 N159.92 O480.04 Sb36 W96 -","4","0.333333","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.71073","MoKα","","0.0839","0.0615","","","0.1132","0.124","","","","","","1.053","","","","has coordinates","185122","2020-10-21","18:00:00",""
"1544507","10.198","0.001","10.198","0.001","10.198","0.001","90","","90","","90","","1060.58","0.18","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","(NH4)Zr2(PO4)3","","","- H4 N O12 P3 Zr2 -","- N O12 P3 Zr2 -","- N4 O48 P12 Zr8 -","4","0.333333","","Kumada, N.; Hinata, J.; Dong, Q.; Yonesaki, Y.; Takei, T.; Kinomura, N.","Preparation and crystal structure of two types of zirconium phosphates by hydrothermal reaction","Journal of the Ceramic Society of Japan","2011","119","","412","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","187871","2020-10-21","18:00:00",""
"1544687","5.881","0.002","5.881","0.002","5.881","0.002","90","","90","","90","","203.4","0.12","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","NiSbS","","ullmanite","- Ni S Sb -","- Ni S Sb -","- Ni4 S4 Sb4 -","4","0.333333","","Takeuchi, Y.","Absolute structure of ullmanite, NiSbS","Mineralogical Journal","1957","2","","90","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","188721","2020-10-21","18:00:00",""
"1546121","24.318","0.002","24.318","0.002","24.318","0.002","90","","90","","90","","14381","2","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C130 H160.5 N24 O15.25 -","- C130 H126 N24 O15.2498 -","- C520.001 H504 N96 O60.9992 -","4","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.086","0.0722","","","0.2033","0.2134","","","","","","1.043","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546271","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","","","293","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- As4 H6 Na6 O19 Zn3 -","- As4 Na6 O19 Zn3 -","- As16 Na24 O76 Zn12 -","4","0.333333","","Grey, Ian E.; Madsen, Ian C.; Jones, David J.; Smith, Peter W.","The structure of Na6Zn3(AsO4)4.3H2O and its relationship to the garnet and other Ia3d-derived structures","Journal of Solid State Chemistry","1989","82","","52","59","10.1016/0022-4596(89)90221-1","","x-ray","0.71069","MoKα","","","","","","0.028","","","","","","","","","","","has coordinates","197563","2020-10-21","18:00:00",""
"1546967","19.7501","0.0006","19.7501","0.0006","19.7501","0.0006","90","","90","","90","","7703.9","0.4","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.45 Er K N2 O10 -","- C85.0002 H121.45 Er K N2 O9.9999 -","- C340.001 H485.802 Er4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0501","0.0413","","","0.0805","0.0827","","","","","","1.114","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546968","19.773","0.0007","19.773","0.0007","19.773","0.0007","90","","90","","90","","7730.7","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.6 Dy K N2 O10.6 -","- C85.0002 H121.6 Dy K N2 O10.5999 -","- C340.001 H486.402 Dy4 K4 N8 O42.3996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0571","0.0457","","","0.0916","0.0956","","","","","","1.043","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546970","19.7291","0.0009","19.7291","0.0009","19.7291","0.0009","90","","90","","90","","7679.3","0.6","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.35 Gd K N2 O10 -","- C85.0002 H121.35 Gd K N2 O9.9999 -","- C340.001 H485.402 Gd4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.0396","0.0372","","","0.094","0.0951","","","","","","1.222","","","","has coordinates,has disorder","200357","2020-10-21","18:00:00",""
"1546976","19.798","0.003","19.798","0.003","19.798","0.003","90","","90","","90","","7760","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C85 H121.37 Dy K N2 O10 -","- C85.0002 H121.37 Dy K N2 O9.9999 -","- C340.001 H485.482 Dy4 K4 N8 O39.9996 -","4","0.333333","","Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.","Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment","Chem. Sci.","2017","","","","","10.1039/C7SC02337E","","","0.71073","MoKα","","0.045","0.0417","","","0.0959","0.097","","","","","","1.218","","","","has coordinates,has disorder","200358","2020-10-21","18:00:00",""
"1546996","18.6598","0.0007","18.6598","0.0007","18.6598","0.0007","90","","90","","90","","6497.1","0.4","103","2","103","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C8 H8 Cd2 N20 -","- C8 H8 Cd2 N20.0033 -","- C96 H96 Cd24 N240.04 -","12","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming","Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment","Chem. Sci.","2017","","","","","10.1039/C7SC03067C","","","0.71073","MoKα","","0.0255","0.0246","","","0.0596","0.0603","","","","","","1.017","","","","has coordinates","200507","2020-10-21","18:00:00",""
"1549077","13.484","0.0008","13.484","0.0008","13.484","0.0008","90","","90","","90","","2451.6","0.3","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C21 H18 Cl N3 -","- C21 H18 Cl N3 -","- C84 H72 Cl4 N12 -","4","0.333333","","Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai","Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization","Polymer Chemistry","2018","9","16","2183","","10.1039/C8PY00338F","","","0.71073","MoKα","","0.114","0.1082","","","0.3079","0.3135","","","","","","1.14","","","","has coordinates,has disorder","230963","2020-10-21","18:00:00",""
"1550126","23.5257","0.0001","23.5257","0.0001","23.5257","0.0001","90","","90","","90","","13020.5","0.1","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O68 Rh4 S12 Zn4 -","- C36 H60 K5.9996 N12 O67.9993 Rh4 S12 Zn4 -","- C144 H240 K23.9984 N48 O271.997 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.6","","","0.0581","0.0575","","","0.1502","0.1513","","","","","","1.103","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550127","23.574","0.007","23.574","0.007","23.574","0.007","90","","90","","90","","13101","7","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 Na O79 Rh4 S12 Zn4 -","- C36 H60 N12 Na0.9999 O79 Rh4 S12 Zn4 -","- C144 H240 N48 Na3.9996 O316 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.7009","synchrotron","","0.1254","0.1054","","","0.2571","0.282","","","","","","1.064","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1550128","23.55","0.003","23.55","0.003","23.55","0.003","90","","90","","90","","13061","3","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 N12 O77.5 Rh4 S12 Zn4 -","- C36 H60 N12 O77.4999 Rh4 S12 Zn4 -","- C144 H240 N48 O310 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi","Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals","Chemical Science","2019","","","","","10.1039/C8SC04204G","","","0.701","synchrotron","","0.0773","0.0599","","","0.148","0.1603","","","","","","1.044","","","","has coordinates,has disorder","211672","2020-10-21","18:00:00",""
"1552025","19.8738","0.0016","19.8738","0.0016","19.8738","0.0016","90","","90","","90","","7849.5","1.1","100","2","100.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C86 H123 K N2 O10 U -","- C86.0001 H123 K N2 O10 U -","- C344 H492.001 K4 N8 O40 U4 -","4","0.333333","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0389","0.0336","","","0.0721","0.0737","","","","","","1.081","","","","has coordinates,has disorder","216834","2020-10-21","18:00:00",""
"1554597","26.441","0.003","26.441","0.003","26.441","0.003","90","","90","","90","","18486","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C153 H132 Cd4 F69 N32 O3 S Sb7 -","- C153 H132 Cd4 F68.9991 N32 O2.9997 S0.9999 Sb6.9999 -","- C612 H527.999 Cd16 F275.996 N128 O11.9988 S3.9996 Sb27.9996 -","4","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0702","0.0654","","","0.1921","0.1983","","","","","","1.024","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1559616","9.44906","0.00012","9.44906","0.00012","9.44906","0.00012","90","","90","","90","","843.657","0.019","298","","298","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 S3 -","- Bi K3 S3 -","- Bi4 K12 S12 -","4","0.333333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","1.54056","CuKα","","0.0635","0.0624","","0.0833","0.0832","","","","1.53","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1560110","9.843","","9.843","","9.843","","90","","90","","90","","953.636","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Ni2 O12 S3 -","- K2 Ni2 O12 S3 -","- K8 Ni8 O48 S12 -","4","0.333333","","Speer, D.","Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg, Ni, Co, Zn, Ca","Physics and Chemistry of Minerals","1986","","","17","","","","","","","","","","","","","","","","","","","","","","","has coordinates","261024","2021-01-17","17:49:27",""
"1561064","10.5584","0.0009","10.5584","0.0009","10.5584","0.0009","90","","90","","90","","1177.05","0.17","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- As7 Ba2 I -","- As7 Ba2 I -","- As28 Ba8 I4 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0769","0.0445","","","0.054","0.0594","","","","","","1.051","","","","has coordinates","263083","2021-03-17","09:35:54",""
"1561065","10.5195","0.0007","10.5195","0.0007","10.5195","0.0007","90","","90","","90","","1164.09","0.13","90","2","90","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- As7 Ba1.77 I Sr0.23 -","- As7 Ba1.774 I Sr0.226 -","- As28 Ba7.096 I4 Sr0.904 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.014","0.0129","","","0.0244","0.0246","","","","","","1.126","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561066","9.8268","0.0007","9.8268","0.0007","9.8268","0.0007","90","","90","","90","","948.93","0.12","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Eu2 I P7 -","- Eu2 I P7 -","- Eu8 I4 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0399","0.025","","","0.0286","0.0308","","","","","","1.065","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561067","9.8547","0.0005","9.8547","0.0005","9.8547","0.0005","90","","90","","90","","957.04","0.08","90","2","90","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Ba0.72 Br Eu1.28 P7 -","- Ba0.722 Br Eu1.278 P7 -","- Ba2.888 Br4 Eu5.112 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0197","0.0174","","","0.0299","0.0305","","","","","","1.193","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561068","9.7013","0.0007","9.7013","0.0007","9.7013","0.0007","90","","90","","90","","913.04","0.11","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Br Eu2 P7 -","- Br Eu2 P7 -","- Br4 Eu8 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0222","","","","","","1.17","","","","has coordinates","263083","2021-03-17","09:35:56",""
"1561069","10.261","0.006","10.261","0.006","10.261","0.006","90","","90","","90","","1080.4","1.1","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- As7 I Sr2 -","- As7 I Sr2 -","- As28 I4 Sr8 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0594","0.0406","","","0.0743","0.0814","","","","","","1.044","","","","has coordinates","263083","2021-03-17","09:35:56",""
"1561366","12.853","0.0005","12.853","0.0005","12.853","0.0005","90","","90","","90","","2123.31","0.14","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Ba2 Cs2 Li3 O24 P6 -","- B3 Ba2 Cs2 Li3 O24 P6 -","- B12 Ba8 Cs8 Li12 O96 P24 -","4","0.333333","","Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling","Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity","Journal of Solid State Chemistry","2016","243","","259","266","10.1016/j.jssc.2016.05.030","","","0.71073","MoKα","","0.0295","0.0292","","","0.0783","0.0785","","","","","","1.045","","","","has coordinates","263444","2021-03-30","09:09:25",""
"1561667","10.2733","0.0005","10.2733","0.0005","10.2733","0.0005","90","","90","","90","","1084.25","0.09","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Dy Hf K2 O12 P3 -","- Dy Hf K2 O12 P3 -","- Dy4 Hf4 K8 O48 P12 -","4","0.333333","","Zhang, Shi-Rui; Zhao, Dan; Fan, Yun-Chang; Ma, Zhao; Xue, Ya-Li; Li, Ya-Nan","Color tunability and energy transfer studies of a new Eu3+ doped langbeinite-type phosphate phosphor for lighting applications","Journal of Solid State Chemistry","2019","279","","120965","","10.1016/j.jssc.2019.120965","","","0.71073","MoKα","","0.0156","0.0153","","","0.0363","0.0364","","","","","","1.228","","","","has coordinates","264060","2021-04-12","09:33:09",""
"1565826","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.0224","0.0221","","","0.0595","0.0597","","","","","","1.1","","","","has coordinates","272820","2022-02-06","04:43:17",""
"1565827","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.019","0.018","","","","0.052","0.022","","","","","1.664","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565828","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0577","0.0585","","","","","","1.055","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565829","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.02","0.018","","","","0.048","0.019","","","","","1.238","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565830","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.038","0.0333","","","0.0739","0.0756","","","","","","1.031","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565831","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.035","0.028","","","","0.052","0.045","","","","","0.966","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1569795","20.285","0.003","20.285","0.003","20.285","0.003","90","","90","","90","","8347","2","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 N6 O32 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1314","0.1209","","","0.2885","0.3019","","","","","","1.122","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569796","20.2017","0.0006","20.2017","0.0006","20.2017","0.0006","90","","90","","90","","8244.5","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Eu N6 O35 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1117","0.0786","","","0.1984","0.2241","","","","","","1.039","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569797","20.2194","0.0005","20.2194","0.0005","20.2194","0.0005","90","","90","","90","","8266.2","0.4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H90 Ag5 Cl2 Gd N6 O35 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1034","0.0706","","","0.1804","0.2102","","","","","","1.029","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569798","20.241","0.002","20.241","0.002","20.241","0.002","90","","90","","90","","8292.7","1.4","150","","150","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H82 Ag5 Cl2 N6 O31 S6 Tb -","- C30 H60 Ag5 N6 O12 S6 Tb -","- C120 H240 Ag20 N24 O48 S24 Tb4 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1047","0.0886","","","0.2318","0.2497","","","","","","1.041","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569799","20.2305","0.0007","20.2305","0.0007","20.2305","0.0007","90","","90","","90","","8279.8","0.5","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H108 Ag5 Cl2 Eu N6 O44 S6 -","- C30 H60 Ag5 Eu N6 O12 S6 -","- C120 H240 Ag20 Eu4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1294","0.0759","","","0.1791","0.2266","","","","","","1.021","","","","has coordinates,has disorder","287364","2023-11-06","07:50:24",""
"1569800","20.354","0.005","20.354","0.005","20.354","0.005","90","","90","","90","","8432","4","120","","120","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C30 H84 Ag5 Cl2 Gd N6 O32 S6 -","- C30 H60 Ag5 Gd N6 O12 S6 -","- C120 H240 Ag20 Gd4 N24 O48 S24 -","4","0.333333","","He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying","Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence.","Nanoscale","2023","15","38","15730","15738","10.1039/d3nr03302c","","x-ray","1.54186","CuKα","","0.1189","0.0845","","","0.2041","0.2171","","","","","","0.937","","","","has coordinates","287364","2023-11-06","07:50:24",""
"1570812","13.389","0.004","13.389","0.004","13.389","0.004","90","","90","","90","","2400.2","1.2","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)","","- C4 H12 Br5 F26 N -","- C4 H11.9997 Br5 F25.999 N -","- C16 H47.9988 Br20 F103.996 N4 -","4","0.333333","","Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian","[Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules.","Chemical science","2024","15","9","3273","3278","10.1039/d3sc06688f","","","0.71073","MoKα","","0.0273","0.0248","","","0.0645","0.0655","","","","","","1.035","","","","has coordinates,has disorder","290135","2024-03-04","20:05:03",""
"2000180","13.289","0.003","13.289","0.003","13.289","0.003","90","","90","","90","","2346.8","0.9","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","","","","","- C18 H21 Cl3 N4 O12 -","- C18 H21 Cl3 N4 O12 -","- C72 H84 Cl12 N16 O48 -","4","0.333333","CR0325","Britton, D.; Norman, R. E.; Que, Jnr, L.","Tris[(2-pyridinium)methyl]amine perchlorate","Acta Crystallographica Section C","1991","47","11","2415","2417","10.1107/S0108270191006194","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001033","8.853","0.001","8.853","0.001","8.853","0.001","90","","90","","90","","693.86","0.14","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","","","","","- C3 Fe N O4 Tl -","- C3 Fe N O4 Tl -","- C12 Fe4 N4 O16 Tl4 -","4","0.333333","AL0488","Clarkson, L. M.; Clegg, W.; Hockless, D. C. R.; Norman, N. C.","Structure of a thallium(I) transition-metal carbonyl salt Tl[Fe(CO)~3~(NO)]","Acta Crystallographica Section C","1992","48","2","236","239","10.1107/S0108270191010405","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002897","14.553","0.001","14.553","0.001","14.553","0.001","90","","90","","90","","3082","0.6","293","","293","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Al1.45 Na1.45 O4 Si0.55 -","- Al1.45 Na1.45025 O4 Si0.55 -","- Al46.4 Na46.408 O128 Si17.6 -","32","2.66667","","Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure","Acta Crystallographica, Section B","1998","54","","547","557","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002948","9.179989","","9.179989","","9.179989","","90","","90","","90","","773.6","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Evans, J. S. O.; David, W. I. F.; Sleight, A. W.","Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~","Acta Crystallographica, Section B","1999","55","3","333","340","10.1107/S0108768198016966","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","188604","2020-10-21","18:00:00",""
"2003005","10.772","0.002","10.772","0.002","10.772","0.002","90","","90","","90","","1249.9","0.4","293","","293","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ag7 P Se6 -","- Ag7 P Se6 -","- Ag28 P4 Se24 -","4","0.333333","LC0002","Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.","Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~","Acta Crystallographica Section B","1998","54","4","376","383","10.1107/S0108768197019654","","","0.5609","AgK-L~2,3~","","","0.0267","","","0.0266","","","","","0.76","0.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005698","10.075","0.002","10.075","0.002","10.075","0.002","90","","90","","90","","1022.7","0.2","293","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","","- Be3 F12 K2 Mn2 -","- Be3 F12 K2 Mn2 -","- Be12 F48 K8 Mn8 -","4","0.333333","","Guelylah A; Breczewski T; Madariaga G","A New Langbeinite: Dipotassium Dimanganese Tetrafluoroberyllate","Acta Crystallographica C","1996","52","","2951","2954","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2005699","10.421","0.001","10.421","0.001","10.421","0.001","90","","90","","90","","1131.69","0.19","295","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","0.333333","AB1353","Guelylah, A.; Madariaga, G.; Breczewski, T.","Langbeinite-Type Cubic Dithallium Dicadmium Sulfate","Acta Crystallographica Section C","1996","52","12","2954","2956","10.1107/S0108270196008815","","","0.71073","MoKα","","","0.051","","","0.04","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006647","11.9931","0.0001","11.9931","0.0001","11.9931","0.0001","90","","90","","90","","1725.02","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Hexasodium trizinc phosphate trihydrate","","- H6 Na6 O19 P4 Zn3 -","- H6 Na6 O19 P4 Zn3 -","- H24 Na24 O76 P16 Zn12 -","4","0.333333","BR1187","Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky","A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O","Acta Crystallographica Section C","1997","53","11","1517","1519","10.1107/S0108270197007889","","","0.71073","MoKα","","0.0209","0.0201","","0.0466","0.0463","","","","1.016","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007234","21.2245","0.0011","21.2245","0.0011","21.2245","0.0011","90","","90","","90","","9561.2","0.9","250","2","250","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Disodium bis(methyl-α-D-mannopyranosidato(3-)) 5/3-bismutate(III) hydroxide dodecahydrate","","- C14 H47 Bi1.6667 Na2 O25 -","- C14 H22.6667 Bi1.66667 Na2 O25.0467 -","- C168 H272 Bi20 Na24 O300.56 -","12","1","JZ1224","Klüfers, Peter; Mayer, Peter","Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex","Acta Crystallographica Section C","1998","54","5","583","586","10.1107/S0108270197011050","","","0.71073","MoKa","","0.026","0.022","","0.043","0.042","","","","0.983","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008724","15.556","0.0012","15.556","0.0012","15.556","0.0012","90","","90","","90","","3764.4","0.5","193","2","193","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)ruthenate(III)","","- C36 H24 N6 Na O12 Ru2 -","- C36 H24 N6 Na O12 Ru2 -","- C144 H96 N24 Na4 O48 Ru8 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.039","0.031","","","","0.063","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008725","15.515","0.002","15.515","0.002","15.515","0.002","90","","90","","90","","3734.7","0.8","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)rhodate(III)","","- C36 H24 N6 Na O12 Rh Ru -","- C36 H24 N6 Na O12 Rh Ru -","- C144 H96 N24 Na4 O48 Rh4 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.034","0.023","","","","0.065","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008726","15.407","0.004","15.407","0.004","15.407","0.004","90","","90","","90","","3657.2","1.6","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)aluminate(III)","","- C36 H24 Al N6 Na O12 Ru -","- C36 H24 Al N6 Na O12 Ru -","- C144 H96 Al4 N24 Na4 O48 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.099","0.041","","","","0.107","","","","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011633","19.096","0.003","19.096","0.003","19.096","0.003","90","","90","","90","","6963.5","1.9","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C70 H77 Li O4 S9 Ti2 -","- C69.96 H76.92 Li O3.99 S9 Ti2 -","- C279.84 H307.68 Li4 O15.96 S36 Ti8 -","4","0.333333","QA0422","Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~]","Acta Crystallographica Section C","2000","56","12","e542","e542","10.1107/S0108270100014979","","","0.71073","MoKα","","0.0699","0.0462","","","","0.1269","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2012246","8.352","0.005","8.352","0.005","8.352","0.005","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tripotassium trioxoantimonate(III)","","- K3 O3 Sb -","- K3 O3 Sb -","- K12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.045","0.026","","","","0.054","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012247","9.1369","0.001","9.1369","0.001","9.1369","0.001","90","","90","","90","","762.78","0.14","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tricaesium trioxoantimonate(III)","","- Cs3 O3 Sb -","- Cs3 O3 Sb -","- Cs12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), <i>A</i>~3~[SbO~3~] (<i>A</i> = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.023","0.014","","","","0.036","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013324","10.391","0.002","10.391","0.002","10.391","0.002","90","","90","","90","","1121.9","0.4","293","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 Rb2 S3 -","- Cd2 O12 Rb2 S3 -","- Cd8 O48 Rb8 S12 -","4","0.333333","NA1599","Guelylah, Abderrahim; Madariaga, Gotzon","Dirubidium dicadmium sulfate at 293K","Acta Crystallographica Section C","2003","59","5","i32","i34","10.1107/S0108270103007479","","","0.71073","MoKα","","0.0285","0.0247","","","0.0516","0.0544","","","","","","2.79","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014608","10.2083","0.0002","10.2083","0.0002","10.2083","0.0002","90","","90","","90","","1063.8","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti0.9999 Yb1.0001 -","- O48 P12 Rb8 Ti3.9996 Yb4.0004 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0242","0.024","","0.0563","0.0562","0.0563","","","","","","1.237","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014609","10.2111","0.0002","10.2111","0.0002","10.2111","0.0002","90","","90","","90","","1064.68","0.04","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti Yb -","- O48 P12 Rb8 Ti4 Yb4 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0234","0.023","","0.0538","0.0536","0.0538","","","","","","1.277","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014610","10.2132","0.0002","10.2132","0.0002","10.2132","0.0002","90","","90","","90","","1065.33","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0444","0.0439","","","0.1172","0.1179","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014611","10.2228","0.0005","10.2228","0.0005","10.2228","0.0005","90","","90","","90","","1068.34","0.09","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0245","0.0244","","0.0631","0.0631","0.0631","","","","","","1.208","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017719","10.3927","0.0004","10.3927","0.0004","10.3927","0.0004","90","","90","","90","","1122.5","0.07","298","2","298","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","dipotassium tri-μ-arsenato-scandium(III)tin(IV)","","- As3 K2 O12 Sc Sn -","- As3 K2 O12 Sc Sn -","- As12 K8 O48 Sc4 Sn4 -","4","0.333333","KU3025","Harrison, William T. A.","K~2~ScSn(AsO~4~)~3~: an arsenate-containing langbeinite","Acta Crystallographica Section C","2010","66","7","i82","i84","10.1107/S0108270110021670","","","0.71073","MoKα","","0.0308","0.0272","","","0.0618","0.0629","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018120","10.5967","0.0002","10.5967","0.0002","10.5967","0.0002","90","","90","","90","","1189.9","0.04","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","","- C6 H9 Am Na O8 -","- C6 H9 Am Na O8 -","- C24 H36 Am4 Na4 O32 -","4","0.333333","YF3001","Grigoriev, Mikhail S.; Fedosseev, Alexandre M.","Sodium tris(acetato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI) and guanidinium tris(cyclopropanecarboxylato-κ^2^<i>O</i>,<i>O</i>')dioxidoamericate(VI)","Acta Crystallographica Section C","2011","67","6","m205","m207","10.1107/S010827011101701X","","","0.71073","MoKα","","0.0441","0.0322","","","0.0529","0.0558","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019856","9.8527","0.0001","9.8527","0.0001","9.8527","0.0001","90","","90","","90","","956.458","0.017","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium rubidium cobalt(II)/titanium(IV) tris(orthophosphate)","","- Co0.293 K0.845 O12 P3 Rb0.743 Ti1.707 -","- Co0.2927 K0.844 O12 P3 Rb0.743 Ti1.7073 -","- Co1.1708 K3.376 O48 P12 Rb2.972 Ti6.8292 -","4","0.333333","BR2246","Strutynska, Nataliia Yu.; Bondarenko, Marina A.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","Crystal structure of langbeinite-related Rb0.743K0.845Co0.293Ti1.707(PO4)3","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","251","","10.1107/S2056989015001826","","","0.71073","MoKα","","0.0306","0.0258","","","","0.0514","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020034","12.484","","12.484","","12.484","","90","","90","","90","","1945.64","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ga7 Sr8 -","- Ga7 Sr8 -","- Ga28 Sr32 -","4","0.333333","","Fornasini, M.L.","Structures of Ba8 Ga7, Sr8 Ga7 and Sr8 Al7","Acta Crystallographica C (39,1983-)","1983","39","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2021465","10.3262","0.0006","10.3262","0.0006","10.3262","0.0006","90","","90","","90","","1101.09","0.11","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Potassium terbium tantalum tris(phosphate)","","- K2 O12 P3 Ta0.5 Tb1.5 -","- K2 O12 P3 Ta0.5 Tb1.5 -","- K8 O48 P12 Ta2 Tb6 -","4","0.333333","KY3157","Xue, Ya-Li; Zhao, Dan; Zhang, Shi-Rui; Li, Ya-Nan; Fan, Yan-Ping","A new disordered langbeinite-type compound, K~2~Tb~1.5~Ta~0.5~P~3~O~12~, and Eu^3+^-doped multicolour light-emitting properties","Acta Crystallographica Section C","2019","75","2","213","220","10.1107/S2053229619000998","","","0.71073","MoKα","","0.0237","0.0228","","","0.0427","0.0429","","","","","","1.125","","","","has coordinates,has Fobs","213401","2020-10-21","18:00:00",""
"2022199","10.3179","0.0007","10.3179","0.0007","10.3179","0.0007","90","","90","","90","","1098.43","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium gadolinium hafnium tris(phosphate)","","- Gd Hf K2 O12 P3 -","- Gd Hf K2 O12 P3 -","- Gd4 Hf4 K8 O48 P12 -","4","0.333333","KY3197","Nan, Hua; Chen, Li; Zhang, Rui-Juan; Zhao, Dan","A new langbeinite-type phosphate K~2~GdHf(PO~4~)~3~: synthesis, crystal structure, band structure and luminescence properties","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620009857","","","0.71073","MoKα","","0.0196","0.018","","","0.03","0.0305","","","","","","1.078","","","","has coordinates,has Fobs","254508","2020-10-21","18:00:00",""
"2100407","10.347","0.004","10.347","0.004","10.347","0.004","90","0.04","90","0.04","90","0.04","1107.8","0.7","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.92 N6.92 O3.16 Si4 -","- Ce4 Cl0.922 N6.921 O3.157 Si4 -","- Ce16 Cl3.688 N27.684 O12.628 Si16 -","4","0.333333","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0242","0.024","","","0.0627","0.0628","","","","","","1.018","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100408","10.223","0.003","10.223","0.003","10.223","0.003","90","0.04","90","0.04","90","0.04","1068.4","0.5","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce4 Cl0.927 N6.93 O3.143 Si4 -","- Ce16 Cl3.708 N27.72 O12.572 Si16 -","4","0.333333","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0303","0.0279","","","0.0687","0.0698","","","","","","1.037","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100424","14.008","0.002","14.008","0.002","14.008","0.002","90","","90","","90","","2748.7","0.7","123","2","123","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","","","","","- C21 H45 F6 N4 Ni O6 P -","- C21 H45 F6 N4 Ni O6 P -","- C84 H180 F24 N16 Ni4 O24 P4 -","4","0.333333","BS5024","Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B.","Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~<i>L</i>)][NO~3~][PF~6~] [H~3~<i>L</i> = <i>N</i>,<i>N</i>',<i>N</i>''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal","Acta Crystallographica Section B","2006","62","2","236","244","10.1107/S0108768106000802","","","0.71073","MoKα","","0.0327","0.0219","","","","0.0152","","","","","","1.061","","","","has coordinates","192318","2020-10-21","18:00:00",""
"2102082","10.108","0.0004","10.108","0.0004","10.108","0.0004","90","","90","","90","","1032.75","0.12","293","","293","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Cu7 P Se6 -","- Cu7 P Se6 -","- Cu28 P4 Se24 -","4","0.333333","LC0017","Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.","Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~","Acta Crystallographica Section B","2000","56","3","402","408","10.1107/S0108768199016614","","","0.5609","AgKα","","0.0297","0.0297","","0.0317","","0.0317","","","0.8","","","0.8","","","","has coordinates,has disorder","282068","2023-03-26","10:12:31",""
"2103036","10.4969","0.0001","10.4969","0.0001","10.4969","0.0001","90","","90","","90","","1156.6","0.019","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.805 Eu0.805 O12 P3 Zr1.195 -","- Cs1.8061 Eu0.806 O12 P3 Zr1.1939 -","- Cs7.2244 Eu3.224 O48 P12 Zr4.7756 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0194","0.0169","","","0.0286","0.029","","","","","","1.167","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103037","10.4752","0.0005","10.4752","0.0005","10.4752","0.0005","90","","90","","90","","1149.44","0.1","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.793 Gd0.793 O12 P3 Zr1.207 -","- Cs1.793 Gd0.7919 O12 P3 Zr1.207 -","- Cs7.172 Gd3.1676 O48 P12 Zr4.828 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0121","0.012","","","0.0292","0.0293","","","","","","1.371","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103038","10.492","0.0012","10.492","0.0012","10.492","0.0012","90","","90","","90","","1155","0.2","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.87 O12 P3 Tb0.87 Zr1.13 -","- Cs1.871 O12 P3 Tb0.8708 Zr1.1292 -","- Cs7.484 O48 P12 Tb3.4832 Zr4.5168 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0181","0.0172","","","0.0472","0.0476","","","","","","1.254","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103039","10.429","0.0001","10.429","0.0001","10.429","0.0001","90","","90","","90","","1134.3","0.019","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.67 Dy0.67 O12 P3 Zr1.33 -","- Cs1.667 Dy0.667 O12 P3 Zr1.3329 -","- Cs6.668 Dy2.668 O48 P12 Zr5.3316 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0331","0.0305","","","0.0686","0.0698","","","","","","1.157","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103040","10.4372","0.0001","10.4372","0.0001","10.4372","0.0001","90","","90","","90","","1136.98","0.019","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.745 Ho0.745 O12 P3 Zr1.255 -","- Cs1.746 Ho0.7457 O12 P3 Zr1.2542 -","- Cs6.984 Ho2.9828 O48 P12 Zr5.0168 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0297","0.0244","","","0.0416","0.0429","","","","","","1.213","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103041","10.4142","0.0002","10.4142","0.0002","10.4142","0.0002","90","","90","","90","","1129.48","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.775 Er0.775 O12 P3 Zr1.225 -","- Cs1.775 Er0.7741 O12 P3 Zr1.2258 -","- Cs7.1 Er3.0964 O48 P12 Zr4.9032 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0291","0.0259","","","0.0402","0.0418","","","","","","1.294","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103042","10.3982","0.0001","10.3982","0.0001","10.3982","0.0001","90","","90","","90","","1124.28","0.019","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.7 O12 P3 Tm0.7 Zr1.3 -","- Cs1.704 O12 P3 Tm0.7031 Zr1.2969 -","- Cs6.816 O48 P12 Tm2.8124 Zr5.1876 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0282","0.025","","","0.0384","0.0396","","","","","","1.197","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103043","10.3616","0.0001","10.3616","0.0001","10.3616","0.0001","90","","90","","90","","1112.45","0.019","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.515 O12 P3 Yb0.515 Zr1.485 -","- Cs1.5155 O12 P3 Yb0.5146 Zr1.4852 -","- Cs6.062 O48 P12 Yb2.0584 Zr5.9408 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.0281","0.0202","","","0.0331","0.0346","","","","","","0.963","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103044","10.38651","0.00017","10.38651","0.00017","10.38651","0.00017","90","","90","","90","","1120.49","0.03","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cs1.625 Lu0.625 O12 P3 Zr1.375 -","- Cs1.6265 Lu0.6257 O12 P3 Zr1.3742 -","- Cs6.506 Lu2.5028 O48 P12 Zr5.4968 -","4","0.333333","SX5073","Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.; Domasevitch, Konstantin V.","Equilibrium langbeinite-related phosphates Cs~1+<i>x~</i>Ln~<i>x~</i>Zr~2{-~<i>x</i>}(PO~4~)~3~ (Ln = Sm‒Lu) in the melted systems Cs~2~O‒P~2~O~5~‒LnF~3~‒ZrF~4~","Acta Crystallographica Section B","2007","63","6","819","827","10.1107/S0108768107049385","","","0.71073","MoKα","","0.018","0.0161","","","0.0327","0.033","","","","","","1.088","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103189","13.6054","","13.6054","","13.6054","","90","","90","","90","","2518.45","","","","","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Bis[cis-cyclohexane tris(methylamine)zinc bis(trifluoromethyl-sulfonate) [(C6H9(NH2)3] Zn(CF3SO3)2","","- C14 H30 F6 N6 O6 S2 Zn -","- C14 H30 F6 N6 O6 S2 Zn -","- C56 H120 F24 N24 O24 S8 Zn4 -","4","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103456","10.1053","0.0002","10.1053","0.0002","10.1053","0.0002","90","","90","","90","","1031.92","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Er K2 O12 P3 Ti -","- Er K2 O12 P3 Ti -","- Er4 K8 O48 P12 Ti4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.025","0.023","","0.077","0.074","0.077","","","1.06","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103457","10.0939","0.0008","10.0939","0.0008","10.0939","0.0008","90","","90","","90","","1028.44","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P3 Ti Yb -","- K2 O12 P3 Ti Yb -","- K8 O48 P12 Ti4 Yb4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.032","0.022","","0.066","0.058","0.066","","","1.081","","","1.081","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103458","10.1318","0.0006","10.1318","0.0006","10.1318","0.0006","90","","90","","90","","1040.06","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P3 Ti Y -","- K2 O12 P3 Ti Y -","- K8 O48 P12 Ti4 Y4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.108","0.047","","0.18","0.123","0.18","","","1.188","","","1.188","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103459","9.8001","0.0002","9.8001","0.0002","9.8001","0.0002","90","","90","","90","","941.22","0.03","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cr K2 O12 P3 Ti -","- Cr K2 O12 P3 Ti -","- Cr4 K8 O48 P12 Ti4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.018","0.016","","0.052","0.05","0.052","","","1.047","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105368","8.627","","8.627","","8.627","","90","","90","","90","","642.066","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ag4 Te (N O3)2","","- Ag4 N2 O6 Te -","- Ag4 N2 O6 Te -","- Ag16 N8 O24 Te4 -","4","0.333333","","Bergerhoff, G.; Schultze-Rhonhof, E.","Die Kristallstruktur des beta-Tetraargentotellurnitrates, beta-Ag4 Te (N O3)2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2645","2648","10.1107/S0567740869006182","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105383","11.126","","11.126","","11.126","","90","","90","","90","","1377.26","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ag9 Ga Se6 -","- Ag9 Ga Se6 -","- Ag36 Ga4 Se24 -","4","0.333333","","Loiseleur, H.; Faure, R.; Roubin, M.; Deloume, J.P.","Structure cristalline de la phase Ag9 Ga Se6-beta","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3189","3193","10.1107/S0567740878010468","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106225","6.70717","","6.70717","","6.70717","","90","","90","","90","","301.73","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Na Br O3","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Abrahams, S.C.; Bernstein, J.L.","Remeasurement of optically active NaClO3 and NaBrO3","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3601","3604","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107015","6.363","","6.363","","6.363","","90","","90","","90","","257.624","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","La Ir Si","","- Ir La Si -","- Ir La Si -","- Ir4 La4 Si4 -","4","0.333333","","Klepp, K.O.; Parthe, E.","La Ir Si with an ordered SrSi2 derivative structure","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107097","9.72","","9.72","","9.72","","90","","90","","90","","918.33","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Ca Na (H2 P O2)3","","- Ca H6 Na O6 P3 -","- Ca Na O6 P3 -","- Ca4 Na4 O24 P12 -","4","0.333333","","Matsuzaki, T.; Iitaka, Y.","The Crystal Structure of Calcium Sodium Hypophosphite, Ca Na (H2 P O2)3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1933","1938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107172","8.566","","8.566","","8.566","","90","","90","","90","","628.542","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Na3 (As S3)","","- As Na3 S3 -","- As Na3 S3 -","- As4 Na12 S12 -","4","0.333333","","Palazzi, M.","Structure cristalline de l'orthotrithioarsenite trisodique, Na3 As S3","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3175","3177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107189","10.544","","10.544","","10.544","","90","","90","","90","","1172.24","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na Sr P O4 (H2 O)9","","- H18 Na O13 P Sr -","- H18 Na O13 P Sr -","- H72 Na4 O52 P4 Sr4 -","4","0.333333","","Takagi, S.; Brown, W.E.; Mathew, M.","The Structure of Sodium Strontium Phosphate Nonahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1408","1413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107266","8.152889","0.000013","8.152889","0.000013","8.152889","0.000013","90","","90","","90","","541.919","0.0015","293","","293","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Li0.5 Mn2 O4 -","- Li0.5 Mn2 O4 -","- Li4 Mn16 O32 -","8","0.666667","KC5017","Bianchini, Matteo; Fauth, François; Suard, Emmanuelle; Leriche, Jean-Bernard; Masquelier, Christian; Croguennec, Laurence","Spinel materials for Li-ion batteries: new insights obtained by <i>operando</i> neutron and synchrotron X-ray diffraction","Acta Crystallographica Section B","2015","71","6","","","10.1107/S2052520615017199","powder diffraction","","0.9534","","","","","","","","","","8.0573","6.84","","","","","","","has coordinates,has Fobs","170284","2020-10-21","18:00:00",""
"2107368","11.959","","11.959","","11.959","","90","","90","","90","","1710.35","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na3 Sb S4 (D2 O)9","","- D18 Na3 O9 S4 Sb -","- D18 Na3 O9 S4 Sb -","- D72 Na12 O36 S16 Sb4 -","4","0.333333","","Mereiter, K.; Preisinger, A.; Guth, H.","Hydrogen Bonds in Schlippe's Salt: Refinement of the Crystal Structures of Na3 Sb S4 (H2 O)9 by X-Ray Diffraction and Na3 Sb S4 (D2 O)9 by Neutron Diffractionat Room Temperature","Acta Crystallographica B (24,1968-38,1982)","1979","35","","19","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2202642","11.038","0.002","11.038","0.002","11.038","0.002","90","","90","","90","","1344.8","0.4","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C6 H21 Br3 N4 -","- C6 H21 Br3 N4 -","- C24 H84 Br12 N16 -","4","0.333333","FL6054","W. G. Piyal Ariyananda; Richard E. Norman","Tris(2-ammonioethyl)amine tribromide","Acta Crystallographica Section E","2003","59","11","o1601","o1603","10.1107/S1600536803019615","","","0.7107","MoKα","","0.0666","0.0626","","0.1687","","0.1447","","","1.089","","","1.018","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203203","13.4832","0.0011","13.4832","0.0011","13.4832","0.0011","90","","90","","90","","2451.2","0.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H36 Cl2 Cu2 P4 -","- C12 H36 Cl2 Cu2 P4 -","- C48 H144 Cl8 Cu8 P16 -","4","0.333333","LH6159","Margraf, Günter; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","The absolute structure of tetrakis(trimethylphosphine)copper(I) dichlorocopper(I)","Acta Crystallographica Section E","2004","60","2","m186","m187","10.1107/S1600536804000790","","","0.71073","MoKα","","0.0328","0.0307","","","0.0788","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203372","9.8825","0.0007","9.8825","0.0007","9.8825","0.0007","90","","90","","90","","965.16","0.12","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Ba3 O24 P6 V4 -","- Ba3 O24 P6 V4 -","- Ba6 O48 P12 V8 -","2","0.166667","BR6140","Droß, Thomas; Glaum, Robert","The langbeinite-type barium vanadium(III) orthophosphate, Ba~3~V~4~(PO~4~)~6~","Acta Crystallographica Section E","2004","60","4","i58","i60","10.1107/S1600536804005689","","","0.71073","MoKα","","0.027","0.027","","","0.0586","0.059","","","","","","1.131","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2205824","10.188","0.002","10.188","0.002","10.188","0.002","90","","90","","90","","1057.5","0.4","295","2","295","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Ammonium manganese sulfate","Diammonium dimanganese(II) trissulfate(IV)","","- H8 Mn2 N2 O12 S3 -","- H8 Mn2 N2 O12 S3 -","- H32 Mn8 N8 O48 S12 -","4","0.333333","WM6061","Zhang, Xian-Ming; Hao, Zheng-Ming; Ng, Seik Weng","Langbeinite-type (NH~4~)~2~Mn~2~(SO~4~)~3~","Acta Crystallographica, Section E","2005","61","5","i82","i83","10.1107/S1600536805011736","","","0.71073","MoKα","","0.035","0.03","","","0.069","0.071","","","","","","1.05","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206300","12.6529","0.001","12.6529","0.001","12.6529","0.001","90","","90","","90","","2025.7","0.3","173","2","173","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tetrakis(trimethylsilyl)methane","","- C13 H36 Si4 -","- C13 H36 Si4 -","- C52 H144 Si16 -","4","0.333333","SJ6109","Lerner, Hans-Wolfram; Bolte, Michael","Tetrakis(trimethylsilyl)methane","Acta Crystallographica Section E","2005","61","7","o2326","o2327","10.1107/S1600536805020015","","","0.71073","Mo-Kα","","0.096","0.094","","","0.2311","0.2373","","","","","","1.181","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206440","9.9384","0.0004","9.9384","0.0004","9.9384","0.0004","90","","90","","90","","981.63","0.07","295","2","295","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","ammonium oxonium dititanium(III,IV) tris(phosphate)","","- H7 N O13 P3 Ti2 -","- H7 N O13 P3 Ti2 -","- H28 N4 O52 P12 Ti8 -","4","0.333333","HB6237","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Langbeinite-type mixed-valence (NH~4~)(H~3~O)Ti^III^Ti^IV^(PO~4~)~3~","Acta Crystallographica Section E","2005","61","8","i158","i159","10.1107/S1600536805021392","","","0.71073","MoKα","","0.022","0.022","","","0.065","0.065","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208068","9.4984","0.001","9.4984","0.001","9.4984","0.001","90","","90","","90","","856.94","0.16","298","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","trisodium titanium nitride tris(phosphate)","","- N Na3 O9 P3 Ti -","- N Na3 O9 P3 Ti -","- N4 Na12 O36 P12 Ti4 -","4","0.333333","HB2002","Igor V. Zatovsky; Tatyana V. Vorobjova; Konstantin V. Domasevitch; Ivan V. Ogorodnyk; Nikolay S. Slobodyanik","The mixed-metal nitridophosphate Na~3~TiN(PO~3~)~3~","Acta Crystallographica Section E","2006","62","2","i32","i34","10.1107/S1600536806002376","","","0.71073","MoKα","","","0.0318","","","","0.0785","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208653","12.6411","0.0005","12.6411","0.0005","12.6411","0.0005","90","","90","","90","","2020.02","0.14","298","2","298","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","N,N',N''-Tricyclohexylguanidinium chloride","","- C19 H36 Cl N3 -","- C19 H36 Cl N3 -","- C76 H144 Cl4 N12 -","4","0.333333","LH2007","Xiao-Qing Cai; Mao-Lin Hu","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium chloride","Acta Crystallographica Section E","2006","62","4","o1260","o1261","10.1107/S1600536806007331","","","0.71073","MoKα","","0.0707","0.0668","","","0.1597","0.162","","","","","","1.292","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209087","10.214","0.0007","10.214","0.0007","10.214","0.0007","90","","90","","90","","1065.58","0.13","294","2","294","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","dirubidium dimanganese trisulfate","","- Mn2 O12 Rb2 S3 -","- Mn2 O12 Rb2 S3 -","- Mn8 O48 Rb8 S12 -","4","0.333333","BR2007","Swain, Diptikanta; Guru Row, T. N.","Rb~2~Mn~2~(SO~4~)~3~, a new member of the langbeinite family","Acta Crystallographica Section E","2006","62","6","m138","m139","10.1107/S1600536806019490","","","0.71073","MoKα","","0.0137","0.0131","","","0.0377","0.0378","","","","","","1.234","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209679","10.2674","0.0004","10.2674","0.0004","10.2674","0.0004","90","","90","","90","","1082.38","0.07","296","2","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dirubidium titanium yttrium tris(phosphate)","","- O12 P3 Rb2 Ti Y -","- O12 P3 Rb2 Ti Y -","- O48 P12 Rb8 Ti4 Y4 -","4","0.333333","WM2016","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson","The langbeinite type Rb~2~TiY(PO~4~)~3~","Acta Crystallographica Section E","2006","62","7","i160","i162","10.1107/S1600536806021635","","","0.71073","MoKα","","","0.0329","","","","0.0787","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2211542","24.6842","0.0004","24.6842","0.0004","24.6842","0.0004","90","","90","","90","","15040.3","0.4","101","2","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetrakis(tri-p-tolylphosphine-κP)silver(I) hexafluorophosphate","","- C84 H84 Ag F6 P5 -","- C84 H84 Ag F6 P5 -","- C672 H672 Ag8 F48 P40 -","8","0.666667","NG2149","Venter, Gertruida J. S.; Meijboom, Reinout; Roodt, Andreas","Tetrakis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)silver(I) hexafluorophosphate","Acta Crystallographica Section E","2006","62","12","m3453","m3455","10.1107/S160053680604760X","","","0.71073","MoKα","","","0.0383","","","","0.1018","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213193","17.32348","0.00016","17.32348","0.00016","17.32348","0.00016","90","","90","","90","","5198.83","0.08","120","2","120","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","μ~3~-Trithiocyanurato-κ^6^N^1^,S^2^:N^3^,S^4^:N^5^,S^6^)tris[(N,N,N',N'',N''- pentamethyldiethylenetriamine-κ^3^N,N',N'')zinc(II)] tris(perchlorate)","","- C30 H69 Cl3 N12 O12 S3 Zn3 -","- C30 H69 Cl3 N12 O12 S3 Zn3 -","- C120 H276 Cl12 N48 O48 S12 Zn12 -","4","0.333333","BX2070","Marek, Jaromír; Trávníček, Zdeněk; Čermáková, Šárka","(μ~3~-Trithiocyanurato-κ^6^<i>N</i>^1^,<i>S</i>^2^:<i>N</i>^3^,<i>S</i>^4^:<i>N</i>^5^,<i>S</i>^6^)tris[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc(II)] tris(perchlorate)","Acta Crystallographica Section E","2007","63","5","m1411","m1413","10.1107/S1600536807016595","","","0.71073","MoKα","","0.0371","0.0233","","","0.0615","0.0763","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213960","17.359","0.0004","17.359","0.0004","17.359","0.0004","90","","90","","90","","5230.9","0.2","120","2","120","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","(μ~3~-Trithiocyanurato-κ^6^<i>N^1^</i>,<i>S^2^</i>:<i>N^3^</i>,<i>S^4^</i>: <i>N^5^</i>,<i>S^6^</i>)tris[(<i>N</i>,<i>N</i>,<i>N'</i>,<i>N''</i>,\ <i>N''</i>- pentamethyldiethylenetriamine-κ^3^<i>N</i>,<i>N'</i>,<i>N''</i>)copper(II)] tris(perchlorate)","","- C30 H69 Cl3 Cu3 N12 O12 S3 -","- C30 H69 Cl3 Cu3 N12 O12 S3 -","- C120 H276 Cl12 Cu12 N48 O48 S12 -","4","0.333333","SI2015","Trávníček, Zdeněk; Marek, Jaromír; Čermáková, Šárka","(μ~3~-Trithiocyanurato-κ^6^<i>N</i>^1^,<i>S</i>^2^:<i>N</i>^3^,<i>S</i>^4^:<i>N</i>^5^,<i>S</i>^6^)tris[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] tris(perchlorate)","Acta Crystallographica Section E","2007","63","6","m1742","m1743","10.1107/S1600536807024026","","","0.71073","MoKα","","0.0539","0.0336","","","0.0631","0.0723","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214416","10.553","0.003","10.553","0.003","10.553","0.003","90","","90","","90","","1175.2","0.6","293","","298","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","dirubidium dicalcium tris[sulfate(VI)]","","- Ca2 O12 Rb2 S3 -","- Ca2 O12 Rb2 S3 -","- Ca8 O48 Rb8 S12 -","4","0.333333","WM2116","Boujelben, Mohamed; Toumi, Mohamed; Mhiri, Tahar","Langbeinite-type Rb~2~Ca~2~(SO~4~)~3~","Acta Crystallographica Section E","2007","63","7","i157","i157","10.1107/S1600536807027043","","","0.71073","MoKα","","0.1513","0.0651","","0.0349","0.1001","0.1278","","","","","","1.12","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216821","9.91473","0.00007","9.91473","0.00007","9.91473","0.00007","90","","90","","90","","974.636","0.012","293","2","293","2","","","","","","","Synthetic","5","P 21 3","P 2ac 2ab 3","198","","dipotassium iron(III) tin(IV) tris(orthophosphate)","","- Fe K2 O12 P3 Sn -","- Fe1.0002 K2 O12 P3 Sn0.9998 -","- Fe4.0008 K8 O48 P12 Sn3.9992 -","4","0.333333","WM2157","Zatovsky, Igor V.; Yatskin, Michael M.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","Langbeinite-related K~2~FeSn(PO~4~)~3~ from single-crystal data","Acta Crystallographica, Section E","2007","63","12","i199","i199","10.1107/S1600536807058588","","","0.71073","MoKα","","0.0261","0.0209","","","0.0418","0.0445","","","","","","1.1","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2218901","9.796","0.001","9.796","0.001","9.796","0.001","90","","90","","90","","940.04","0.17","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","sodium barium diiron tris(phosphate)","","- Ba Fe2 Na O12 P3 -","- Ba Fe2 Na O12 P3 -","- Ba4 Fe8 Na4 O48 P12 -","4","0.333333","BR2076","Hidouri, Mourad; Jerbi, Hasna; Ben Amara, Mongi","The iron phosphate NaBaFe~2~(PO~4~)~3~","Acta Crystallographica Section E","2008","64","8","i51","","10.1107/S1600536808023040","","","0.71073","MoKα","","0.0257","0.0248","","","0.0589","0.0594","","","","","","0.917","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2221852","9.15688","0.000017","9.15688","0.000017","9.15688","0.000017","90","","90","","90","","767.79","0.002","298","","298","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Zirconium tungsten molybdenum octaoxide","","- Mo0.25 O8 W1.75 Zr -","- Mo0.25 O8 W1.75 Zr -","- Mo O32 W7 Zr4 -","4","0.333333","WM2222","Deng, Xuebin; Cao, Yilong; Tao, Juzhou; Zhao, Xinhua","Cubic ZrW~1.75~Mo~0.25~O~8~ from a Rietveld refinement based on neutron powder diffraction data","Acta Crystallographica Section E","2009","65","5","i36","i37","10.1107/S1600536809015281","","","","Time-of-flight","","","","","","","","","","1.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2222915","10.30748","0.00009","10.30748","0.00009","10.30748","0.00009","90","","90","","90","","1095.11","0.017","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Potassium yttrium hafnium tris(orthophosphate)","","- Hf K2 O12 P3 Y -","- Hf K2 O12 P3 Y -","- Hf4 K8 O48 P12 Y4 -","4","0.333333","WM2244","Ogorodnyk, Ivan V.; Zatovsky, Igor V.; Slobodyanik, Nikolay S.","Rietveld refinement of langbeinite-type K~2~YHf(PO~4~)~3~","Acta Crystallographica Section E","2009","65","8","i63","i64","10.1107/S1600536809027573","powder diffraction","","1.54187","CuKα","","3.14","","","","","","","","2.51","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2223743","10.6435","0.0001","10.6435","0.0001","10.6435","0.0001","90","","90","","90","","1205.74","0.02","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","sodium strontium orthoarsenate(V) nonahydrate","","- As H18 Na O13 Sr -","- As Na O12.99 Sr -","- As4 Na4 O51.96 Sr4 -","4","0.333333","FJ2248","Weil, Matthias","NaSr(AsO~4~)(H~2~O)~9~: the (Sr,As) analogue of nabaphite and nastrophite","Acta Crystallographica Section E","2009","65","11","i75","","10.1107/S1600536809040355","","","0.71073","MoKα","","0.0253","0.0231","","","0.0555","0.056","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226251","11.3","0.001","11.3","0.001","11.3","0.001","90","","90","","90","","1442.9","0.2","298","2","298","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Triaqua(1,4,7-triazacyclononane- κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^)nickel(II) bromide nitrate","","- C6 H21 Br N4 Ni O6 -","- C6 H21 Br N4 Ni O6 -","- C24 H84 Br4 N16 Ni4 O24 -","4","0.333333","PB2027","Wen, Changchun; Lu, Jianqi; Zhang, Zhong","Triaqua(1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^)nickel(II) bromide nitrate","Acta Crystallographica Section E","2010","66","6","m624","m625","10.1107/S160053681001620X","","","0.71073","MoKα","","0.044","0.0354","","","0.0685","0.0716","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230982","9.798","0.0008","9.798","0.0008","9.798","0.0008","90","","90","","90","","940.62","0.13","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium aluminium tin(IV) tris[phosphate(V)]","","- Al K2 O12 P3 Sn -","- Al K2 O12 P3 Sn -","- Al4 K8 O48 P12 Sn4 -","4","0.333333","FI2112","Li, Hai-Yan; Zhao, Dan","A new langbeinite-type phosphate: K~2~AlSn(PO~4~)~3~","Acta Crystallographica, Section E","2011","67","10","i56","i56","10.1107/S1600536811037263","","","0.71073","MoKα","","0.0308","0.0287","","","0.0735","0.074","","","","","","1.179","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232565","12.893","0.004","12.893","0.004","12.893","0.004","90","","90","","90","","2143.2","1.2","188","2","188","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide","","- C19 H36 I N3 -","- C19 H36 I N3 -","- C76 H144 I4 N12 -","4","0.333333","BQ2321","Said, Farouq F.; Ali, Basem F.; Richeson, Darrin","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylguanidinium iodide","Acta Crystallographica Section E","2011","67","12","o3467","","10.1107/S1600536811049683","","","0.71073","MoKα","","0.0594","0.0381","","","0.0689","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237456","14.1341","0.0016","14.1341","0.0016","14.1341","0.0016","90","","90","","90","","2823.6","0.6","295","2","295","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Poly[tris(dimethylformamide)(μ~3~-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]","","- C18 H21 I3 N3 O9 Sm -","- C18 H21 I3 N3 O9 Sm -","- C72 H84 I12 N12 O36 Sm4 -","4","0.333333","CV5378","Yan, Bin; Sheng, Daopeng; Yang, Yanzhao","Poly[tris(dimethylformamide)(μ~3~-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]","Acta Crystallographica Section E","2013","69","3","m149","","10.1107/S1600536813003358","","","0.71073","MoKα","","0.0233","0.021","","","0.0475","0.049","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238072","9.44783","0.00005","9.44783","0.00005","9.44783","0.00005","90","","90","","90","","843.327","0.008","298","","298","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Trisodium vanadium(III) nitridotriphosphate","","- N Na3 O9 P3 V -","- N Na3 O9 P3 V -","- N4 Na12 O36 P12 V4 -","4","0.333333","WM2731","Kim, Minwoong; Kim, Seung-Joo","Synchrotron powder study of Na~3~V(PO~3~)~3~N","Acta Crystallographica Section E","2013","69","6","i34","","10.1107/S1600536813012427","powder diffraction","","1.5474","synchrotron","","","","","","","","","","1.587","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239659","10.9002","0.0009","10.9002","0.0009","10.9002","0.0009","90","","90","","90","","1295.1","0.19","298","2","298","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Dirubidium dimanganese(II) tris(tetraoxomolybdate)","","- Mn2 Mo3 O12 Rb2 -","- Mn2 Mo3 O12 Rb2 -","- Mn8 Mo12 O48 Rb8 -","4","0.333333","RU2059","Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed; Souilem, Amira","Non-centrosymmetric Rb~2~Mn~2~(MoO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i36","i37","10.1107/S1600536814013099","","","0.71073","MoKα","","0.0428","0.0354","","","0.0765","0.079","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239709","10.15724","0.00013","10.15724","0.00013","10.15724","0.00013","90","","90","","90","","1047.92","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium [nickel(II) zirconium(IV)] tris(orthophosphate)","","- K2 Ni0.5 O12 P3 Zr1.5 -","- K2 Ni0.5 O12 P3 Zr1.5 -","- K8 Ni2 O48 P12 Zr6 -","4","0.333333","WM5021","Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type mixed-metal phosphate K~2~Ni~0.5~Zr~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i41","","10.1107/S1600536814013658","powder diffraction","","1.54187","CuKα","","0.035","","","","","","","","3.97","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2241374","13.9483","0.0012","13.9483","0.0012","13.9483","0.0012","90","","90","","90","","2713.7","0.4","100","0.5","100","0.5","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","sjfbk44","<i>fac</i>-Tris[1-oxopyridine-2-thiolato(1-)]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","","- C17 H12 Cl7 D2 N3 O3 S3 Si -","- C17 H12 Cl7 D2 N3 O3 S3 Si -","- C68 H48 Cl28 D8 N12 O12 S12 Si4 -","4","0.333333","HG5464","Kraft, Bradley M.; Brennessel, William W.; Ryan, Amy E.; Benjamin, Candace K.","Crystal structures of tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate, tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride acetonitrile unquantified solvate, and <i>fac</i>-tris[1-oxopyridine-2-thiolato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","Acta Crystallographica Section E","2015","71","12","1531","1535","10.1107/S2056989015022203","","","0.71073","MoKα","","0.0481","0.037","","","0.0821","0.0879","","","","","","1.032","","","","has coordinates,has Fobs","170606","2020-10-21","18:00:00",""
"2243593","10.12201","0.00005","10.12201","0.00005","10.12201","0.00005","90","","90","","90","","1037.05","0.009","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf1.5 K2 Ni0.5 O12 P3 -","- Hf6 K8 Ni2 O48 P12 -","4","0.333333","WM5581","Zhou, Liang; Butenko, Denys S.; Ogorodnyk, Ivan V.; Klyui, Nickolai I.; Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type phosphate K~2~Ni~0.5~Hf~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2020","76","10","1634","1637","10.1107/S2056989020012062","powder diffraction","","1.54187","CuKα","","3.21","","","","","","","","2.1","","","","","","","has coordinates,has Fobs","256386","2020-10-21","18:00:00",""
"2243990","9.8201","0.00013","9.8201","0.00013","9.8201","0.00013","90","","90","","90","","947","0.02","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium sodium titanium iron tris(phosphate)","","- Fe K1.65 Na0.35 O12 P3 Ti -","- Fe K1.65 Na0.35 O12 P3 Ti -","- Fe4 K6.6 Na1.4 O48 P12 Ti4 -","4","0.333333","WM5625","Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S.","Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework","Acta Crystallographica Section E","2021","77","12","1299","1302","10.1107/S2056989021011877","","","0.71073","MoKα","","0.0253","0.0247","","","","0.0638","","","","","","1.137","","","","has coordinates,has Fobs","271910","2022-01-06","23:11:43",""
"2243991","9.7945","0.0001","9.7945","0.0001","9.7945","0.0001","90","","90","","90","","939.608","0.017","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium sodium titanium iron tris(phosphate)","","- Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26 -","- Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26 -","- Fe2.96 K3.88 Na4.12 O48 P12 Ti5.04 -","4","0.333333","WM5625","Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S.","Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework","Acta Crystallographica Section E","2021","77","12","1299","1302","10.1107/S2056989021011877","","","0.71073","MoKα","","0.0165","0.0164","","","","0.0429","","","","","","1.119","","","","has coordinates,has Fobs","271910","2022-01-06","23:11:45",""
"2300376","4.49678","0.00005","4.49678","","4.49678","","90","","90","","90","","90.9295","0.001","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.333333","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300619","4.5622","0.0003","4.5622","0.0003","4.5622","0.0003","90","","90","","90","","94.956","0.011","293","2","293","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.68894","synchrotron","","0.0355","0.0355","","","0.0743","0.0743","","","","","","1.336","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2300620","4.5662","0.0001","4.5662","0.0001","4.5662","0.0001","90","","90","","90","","95.206","0.004","293","2","293","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.158","","","0.0151","0.0146","","","0.0369","0.0374","","","","","","1.08","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2300621","4.4732","0.0005","4.4732","0.0005","4.4732","0.0005","90","0.01","90","0.01","90","0.01","89.507","0.017","120","1","120","5","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Co0.3 Fe0.7 Si -","- Co0.3 Fe0.6999 Si -","- Co1.2 Fe2.7996 Si4 -","4","0.333333","","Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry","Probing structural chirality with high-energy synchrotron radiation","Journal of Applied Crystallography","2016","49","3","918","922","10.1107/S1600576716006282","","","0.19","","","0.024","0.0236","","","0.0614","0.0617","","","","","","1.055","","","","has coordinates,has Fobs","183647","2020-10-21","18:00:00",""
"2310242","5.594","","5.594","","5.594","","90","","90","","90","","175.052","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Hf Sn -","- Hf Sn -","- Hf4 Sn4 -","4","0.333333","","Schob, O.; Parthe, E.","The structure of Hf Sn","Acta Crystallographica (1,1948-23,1967)","1964","17","","452","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310381","9.611","","9.611","","9.611","","90","","90","","90","","887.781","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Sr (Mn O4)2 (H2 O)3","","- H6 Mn2 O11 Sr -","- H6 Mn2 O11 Sr -","- H24 Mn8 O44 Sr4 -","4","0.333333","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The Crystal Structure of Strontium Permanganate Trihydrate","Acta Crystallographica","1966","21","5","681","685","10.1107/s0365110x66003700","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2310927","5.138","","5.138","","5.138","","90","","90","","90","","135.638","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","N H3","","- H3 N -","- H3 N -","- H12 N4 -","4","0.333333","","Olovsson, I.; Templeton, D. H.","X-ray study of solid ammonia","Acta Crystallographica (1,1948-23,1967)","1959","12","11","832","836","10.1107/S0365110X59002420","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310999","12.368","","12.368","","12.368","","90","","90","","90","","1891.9","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","In Cl","","- Cl In -","- Cl In -","- Cl32 In32 -","32","2.66667","","van den Berg, J.M.","The crystal structure of the room-temperature modification of indium chloride, In Cl","Acta Crystallographica (1,1948-23,1967)","1966","20","","905","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000584","7.1547","0.0001","7.1547","0.0001","7.1547","0.0001","90","","90","","90","","366.25","0.01","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.75 O8.96 W0.25 -","- La2 Mo1.75 O8.96 W0.25 -","- La4 Mo3.5 O17.92 W0.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000585","7.1589","0.0007","7.1589","0.0007","7.1589","0.0007","90","","90","","90","","366.9","0.1","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.5 O8.96 W0.5 -","- La2 Mo1.5 O8.96 W0.5 -","- La4 Mo3 O17.92 W -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000586","7.154","0.0001","7.154","0.0001","7.154","0.0001","90","","90","","90","","366.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.25 O8.96 W0.75 -","- La2 Mo1.25 O8.96 W0.75 -","- La4 Mo2.5 O17.92 W1.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000587","7.1506","0.0001","7.1506","0.0001","7.1506","0.0001","90","","90","","90","","365.6","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo O8.96 W -","- La2 Mo O8.96 W -","- La4 Mo2 O17.92 W2 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000588","7.1459","0.0001","7.1459","0.0001","7.1459","0.0001","90","","90","","90","","364.9","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.8 O8.96 W1.2 -","- La2 Mo0.8 O8.96 W1.2 -","- La4 Mo1.6 O17.92 W2.4 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000589","7.1408","0.0001","7.1408","0.0001","7.1408","0.0001","90","","90","","90","","364.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.6 O8.96 W1.4 -","- La2 Mo0.6 O8.96 W1.4 -","- La4 Mo1.2 O17.92 W2.8 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000731","7.1827","0.0001","7.1827","0.0001","7.1827","0.0001","90","","90","","90","","370.564","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000732","7.1907","0.0001","7.1907","0.0001","7.1907","0.0001","90","","90","","90","","371.804","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000733","7.2001","0.0001","7.2001","0.0001","7.2001","0.0001","90","","90","","90","","373.264","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000734","7.2109","0.0001","7.2109","0.0001","7.2109","0.0001","90","","90","","90","","374.946","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000735","7.2216","0.0002","7.2216","0.0002","7.2216","0.0002","90","","90","","90","","376.617","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000736","7.2341","0.0002","7.2341","0.0002","7.2341","0.0002","90","","90","","90","","378.576","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000737","7.2479","0.0002","7.2479","0.0002","7.2479","0.0002","90","","90","","90","","380.747","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000738","7.2611","0.0002","7.2611","0.0002","7.2611","0.0002","90","","90","","90","","382.831","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000739","7.2745","0.0002","7.2745","0.0002","7.2745","0.0002","90","","90","","90","","384.955","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000740","7.2875","0.0003","7.2875","0.0003","7.2875","0.0003","90","","90","","90","","387.02","0.03","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000783","19.1179","0.0014","19.1179","0.0014","19.1179","0.0014","90","","90","","90","","6987.5","0.9","296","2","296","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Te3 Tl2 Zr -","- Te3 Tl2 Zr -","- Te108 Tl72 Zr36 -","36","3","","Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger","Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3","Chemistry of Materials","2011","23","17","3886","","10.1021/cm200994t","","","0.71073","MoKα","","0.0481","0.0387","","","0.0602","0.0644","","","","","","1.192","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001074","10.54431","0.00019","10.54431","","10.54431","","90","","90","","90","","1172.34","0.02","","","298","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","Cerium zirconate","","","- Ce O4 Zr -","- Ce O4 Zr -","- Ce16 O64 Zr16 -","16","1.33333","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.05191","","1.99","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001666","12.7429","0.0004","12.7429","0.0004","12.7429","0.0004","90","","90","","90","","2069.21","0.11","193","2","193","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H26 Li4 O13 S4 Sn -","- H20.01 Li4 O13 S4 Sn -","- H80.04 Li16 O52 S16 Sn4 -","4","0.333333","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0328","0.0297","","","0.0739","0.0751","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002073","7.1809","0.0001","7.1809","0.0001","7.1809","0.0001","90","","90","","90","","370.285","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002074","7.1879","0.0002","7.1879","0.0002","7.1879","0.0002","90","","90","","90","","371.369","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002075","7.1972","0.0002","7.1972","0.0002","7.1972","0.0002","90","","90","","90","","372.813","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002076","7.2089","0.0002","7.2089","0.0002","7.2089","0.0002","90","","90","","90","","374.634","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002077","7.2201","0.0002","7.2201","0.0002","7.2201","0.0002","90","","90","","90","","376.383","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002078","7.2345","0.0002","7.2345","0.0002","7.2345","0.0002","90","","90","","90","","378.639","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002079","7.25","0.0002","7.25","0.0002","7.25","0.0002","90","","90","","90","","381.078","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002080","7.2644","0.0002","7.2644","0.0002","7.2644","0.0002","90","","90","","90","","383.353","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002081","7.2782","0.0002","7.2782","0.0002","7.2782","0.0002","90","","90","","90","","385.542","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002082","7.2919","0.0002","7.2919","0.0002","7.2919","0.0002","90","","90","","90","","387.723","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002231","7.2014","","7.2014","","7.2014","","90","","90","","90","","373.466","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","(La2 Mo2 O9)0.889","","- La1.778 Mo1.778 O8.001 -","- La1.778 Mo1.778 O8 -","- La3.556 Mo3.556 O16 -","2","0.166667","","Goutenoire, F.; Isnard, O.; Retoux, R.; Lacorre, P.","Crystal structure of La2 Mo2 O9, a new fast oxide-ion conductor","Chemistry of Materials (1,1989-)","2000","12","","2575","2580","","","","","","","","","","","","","","","","","","","","","","has coordinates","140725","2020-10-21","18:00:00",""
"4002312","10.568","","10.568","","10.568","","90","","90","","90","","1180.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Na2 (H S O4)3","","- Cs H3 Na2 O12 S3 -","- Cs H3 Na2 O12 S3 -","- Cs4 H12 Na8 O48 S12 -","4","0.333333","","Chisholm, C.R.I.; Cowan, L.A.; Klooster, W.T.; Haile, S.M.","Synthesis, structure and properties of compounds in the Na H S O4 - Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3","Chemistry of Materials (1,1989-)","2001","13","","2574","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002373","7.149","","7.149","","7.149","","90","","90","","90","","365.373","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.9 Cr0.1 O8.96","","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.2 La4 Mo3.8 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150610","2020-10-21","18:00:00",""
"4002374","7.1463","","7.1463","","7.1463","","90","","90","","90","","364.959","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.8 Cr0.2 O8.90","","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.4 La4 Mo3.6 O17.8 -","2","0.166667","","Corbel, G.; Laligant, Y.; Goutenoire, F.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150611","2020-10-21","18:00:00",""
"4002375","7.1389","","7.1389","","7.1389","","90","","90","","90","","363.826","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.5 Cr0.5 O8.96","","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr La4 Mo3 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150612","2020-10-21","18:00:00",""
"4002529","10.378","","10.378","","10.378","","90","","90","","90","","1117.74","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Rb2 Cd2 (S O4)3","","- Cd2 O12 Rb2 S3 -","- Cd2 O12 Rb2 S3 -","- Cd8 O48 Rb8 S12 -","4","0.333333","","Nalini, G.; Guru Row, T.N.","Variable temperature X-ray crystal structure analysis of a type I langbeinite: Rb2 Cd2 (S O4)3","Chemistry of Materials (1,1989-)","2002","14","","4729","4735","","","","","","","","","","","","","","","","","","","","","","has coordinates","157531","2020-10-21","18:00:00",""
"4002573","10.158","","10.158","","10.158","","90","","90","","90","","1048.15","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Rb2 (Ti1.01 Er0.99) (P O4)3","","- Er0.99 O12 P3 Rb2 Ti1.01 -","- Er0.987 O12 P3 Rb2 Ti1.013 -","- Er3.948 O48 P12 Rb8 Ti4.052 -","4","0.333333","","Carvajal, J.J.; Aznar, A.; Sole, R.; Diaz, F.; Massons, J.; Gavalda, J.; Solans, X.; Aguilo, M.","Growth and structural characterization of Rb2 Ti1.01 Er0.99 (P O4)3","Chemistry of Materials (1,1989-)","2003","15","","204","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","159433","2020-10-21","18:00:00",""
"4025582","18.1117","0.0011","18.1117","0.0011","18.1117","0.0011","90","","90","","90","","5941.2","0.6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H39 N4 O3 P -","- C30 H39 N4 O3 P -","- C240 H312 N32 O24 P8 -","8","0.666667","","Steven M. Raders; John G. Verkade","An Electron-Rich Proazaphosphatrane for Isocyanate Trimerization to Isocyanurates","Journal of Organic Chemistry","2010","75","","5308","5311","10.1021/jo9023396","","","0.71073","MoKα","","0.0646","0.0428","","","0.1047","0.1236","","","","","","1.113","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4030614","9.274","0.001","9.274","0.001","9.274","0.001","90","","90","","90","","797.63","0.15","","","293","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Al N Na3 O9 P3 -","- Al N Na3 O9 P3 -","- Al4 N4 Na12 O36 P12 -","4","0.333333","","Conanec, R.; L Haridon, P.; Feldmann, W.; Marchand, R.; Laurent, Y.","Crystal structure determination of the nitridophosphate Na3AlP3O9N","European Journal of Solid State and Inorganic Chemistry","1994","31","","13","24","","","x-ray","0.71073","MoKα","","","0.0137","","","0.0199","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4031610","13.285","","13.285","","13.285","","90","","90","","90","","2344.69","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg6.16 Sn Sb4 I6","","- Hg6.16 I6 Sb4 Sn -","- Hg6.155 I6 Sb4 Sn -","- Hg24.62 I24 Sb16 Sn4 -","4","0.333333","","Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A.","A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions.","European Journal of Inorganic Chemistry","2002","2002","","547","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031611","12.49","","12.49","","12.49","","90","","90","","90","","1948.44","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg7 Sn P4 Br6","","- Br6 Hg7 P4 Sn -","- Br6 Hg7 P4 Sn -","- Br24 Hg28 P16 Sn4 -","4","0.333333","","Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A.","A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions.","European Journal of Inorganic Chemistry","2002","2002","","547","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031612","12.383","","12.383","","12.383","","90","","90","","90","","1898.79","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg6 Sn As4 Br6","","- As4 Br6 Hg6 Sn -","- As4 Br6 Hg6 Sn -","- As16 Br24 Hg24 Sn4 -","4","0.333333","","Olenev, A.V.; Popovkin, B.A.; Shevelkov, A.V.; Baranov, A.I.","A new family of supramolecular complexes with the 3D cationic Hg/Z frameworks and Sn X3- guest anions (Z= P, As, Sb; X= Cl, Br, I): Crystal structures and host-guest interactions.","European Journal of Inorganic Chemistry","2002","2002","","547","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031613","12.233","","12.233","","12.233","","90","","90","","90","","1830.62","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg6.13 Sn As4 Cl6","","- As4 Cl6 Hg6.13 Sn -","- As4 Cl6 Hg6.13 Sn -","- As16 Cl24 Hg24.52 Sn4 -","4","0.333333","","Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A.","A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions.","European Journal of Inorganic Chemistry","2002","2002","","547","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031614","11.865","","11.865","","11.865","","90","","90","","90","","1670.33","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Hg6 Sn P4 Cl6","","- Cl6 Hg6 P4 Sn -","- Cl6 Hg6 P4 Sn -","- Cl24 Hg24 P16 Sn4 -","4","0.333333","","Olenev, A.V.; Baranov, A.I.; Shevelkov, A.V.; Popovkin, B.A.","A New Family of Supramolecular Complexes with the 3D Cationic Hg/Z Frameworks and SnX3- Guest Anions (Z = P, As, Sb; X = Cl, Br, I): Crystal Structures and Host-Guest Interactions.","European Journal of Inorganic Chemistry","2002","2002","","547","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4067934","25.5296","0.0015","25.5296","0.0015","25.5296","0.0015","90","","90","","90","","16639.2","1.7","100","2","100","2","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C27 H43 F6 N3 O6 P3 Ru S2 Si -","- C26.5 H42.99 F4.5 N3 O4.5 P3 Ru S1.5 Si -","- C424 H687.84 F72 N48 O72 P48 Ru16 S24 Si16 -","16","1.33333","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0709","0.0603","","","0.1475","0.1535","","","","","","1.001","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4079277","20.2458","0.0019","20.2458","0.0019","20.2458","0.0019","90","","90","","90","","8298.6","1.3","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C66 H54 Cu3 F18 N24 O3 P3 -","- C66 H54 Cu3 F18 N24 O3 P3 -","- C264 H216 Cu12 F72 N96 O12 P12 -","4","0.333333","","Liu, Xiaolong; Chen, Wanzhi","Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes","Organometallics","2012","31","18","6614","","10.1021/om300644h","","","0.71073","MoKα","","0.092","0.066","","","0.168","0.1823","","","","","","0.922","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4080821","12.193","0.017","12.193","0.017","12.193","0.017","90","","90","","90","","1813","4","223","","223","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Mg N4 -","- C12 H30 Br2 Mg N4 -","- C48 H120 Br8 Mg4 N16 -","4","0.333333","","Guard, Louise M.; Hazari, Nilay","Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)","Organometallics","2013","32","9","2787","","10.1021/om4002186","","","0.71073","MoKα","","0.0407","0.0366","","","0.1054","0.1091","","","","","","0.876","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4085967","18.9609","0.0017","18.9609","0.0017","18.9609","0.0017","90","","90","","90","","6816.7","1.1","120","","120","","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C65 H93 Cl2 Co N3 O3 P3 Si Zr -","- C64.9998 H93.0018 Cl1.9998 Co N3 O3.0019 P3 Si Zr -","- C259.999 H372.007 Cl7.9992 Co4 N12 O12.0076 P12 Si4 Zr4 -","4","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0318","0.0273","","0.0713","0.0662","0.0713","","","","","","1.0307","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4101097","17.6481","0.0005","17.6481","0.0005","17.6481","0.0005","90","","90","","90","","5496.6","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H27 Fe N4 O12 -","- C27 H27 Fe N4 O12 -","- C216 H216 Fe8 N32 O96 -","8","0.666667","","Puerta, David T.","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057954f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101358","25.758","0.002","25.758","0.002","25.758","0.002","90","","90","","90","","17091","2","140","2","140","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C147 H229 N15 O17 Rh6 -","- C147 H174 N15 O17 Rh6 -","- C588 H696 N60 O68 Rh24 -","4","0.333333","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.7107","MoKα","","0.1697","0.1346","","","0.3297","0.3625","","","","","","1.166","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101626","11.6012","0.0003","11.6012","0.0003","11.6012","0.0003","90","","90","","90","","1561.38","0.07","105","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","tetramethylammonium copper(I) zinc cyanide","tetramethylammonium copper(I) zinc cyanide","","- C8 H12 Cu N5 Zn -","- C8 H11.9997 Cu N5 Zn -","- C32 H47.9988 Cu4 N20 Zn4 -","4","0.333333","","Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.","Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.","Journal of the American Chemical Society","2010","132","1","10","11","10.1021/ja906895j","","","0.71073","MoKα","","0.0235","0.0222","","","0.0525","0.0533","","","","","","1.235","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4103708","14.7696","0.0003","14.7696","0.0003","14.7696","0.0003","90","","90","","90","","3221.86","0.11","128","2","128","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","[Na(THF)][tpatBuFe]","","","- C31 H47 Fe N4 Na O -","- C31.02 H39 Fe N4 Na O0.99 -","- C124.08 H156 Fe4 N16 Na4 O3.96 -","4","0.333333","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0311","0.0284","","","0.0762","0.0775","","","","","","1.103","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4106117","20.5269","0.0003","20.5269","0.0003","20.5269","0.0003","90","","90","","90","","8649.1","0.2","140","2","140","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C84 H83 F N6 O6 Ru3 -","- C84 H83.01 F0.99 N6 O6 Ru3 -","- C336 H332.04 F3.96 N24 O24 Ru12 -","4","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0987","0.0637","","","0.1438","0.1558","","","","","","0.996","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4110284","16.3681","0.0003","16.3681","0.0003","16.3681","0.0003","90","","90","","90","","4385.25","0.14","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H65 Ge I2 N7 -","- C37.95 H64.95 Ge I1.99 N6.99 -","- C151.8 H259.8 Ge4 I7.96 N27.96 -","4","0.333333","","Paul A. Rupar; Viktor N. Staroverov; Paul J. Ragogna; Kim M. Baines","A Germanium(II)-Centered Dication","Journal of the American Chemical Society","2007","129","","15138","15139","10.1021/ja0775725","","","0.71073","MoKα","","0.0652","0.0632","","","0.1418","0.1427","","","","","","1.199","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4116716","20.443","0.003","20.443","0.003","20.443","0.003","90","","90","","90","","8543","2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 Cl4 Cu3 N12 O19 -","- C24 H54 Cl4 Cu3 N12 O19.005 -","- C192 H432 Cl32 Cu24 N96 O152.04 -","8","0.666667","","Myunghyun Paik Suh; Mi Young Han; Jea Ho Lee; Kil Sik Min; Changbong Hyeon","One-Pot Template Synthesis and Properties of a Molecular Bowl: Dodecaaza Macrotetracycle with μ3-Oxo and μ3-Hydroxo Tricopper(II) Cores","Journal of the American Chemical Society","1998","120","","3819","3820","10.1021/ja9721780","","","0.71073","MoKα","","0.1029","0.0432","","0.1131","0.0927","","","","1.031","1.072","1.072","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116717","20.447","0.002","20.447","0.002","20.447","0.002","90","","90","","90","","8548.5","1.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 Cl5 Cu3 N12 O20.5 -","- C24 H55 Cl5 Cu3 N12 O20.56 -","- C192 H440 Cl40 Cu24 N96 O164.48 -","8","0.666667","","Myunghyun Paik Suh; Mi Young Han; Jea Ho Lee; Kil Sik Min; Changbong Hyeon","One-Pot Template Synthesis and Properties of a Molecular Bowl: Dodecaaza Macrotetracycle with μ3-Oxo and μ3-Hydroxo Tricopper(II) Cores","Journal of the American Chemical Society","1998","120","","3819","3820","10.1021/ja9721780","","","0.71073","MoKα","","0.0743","0.0536","","0.1397","0.1272","","","","1.094","1.147","1.147","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4117292","13.4239","0.0007","13.4239","0.0007","13.4239","0.0007","90","","90","","90","","2419","0.2","93","2","93","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H39 N O U -","- C27 H39 N O U -","- C108 H156 N4 O4 U4 -","4","0.333333","","Nathan A. Siladke; Katie R. Meihaus; Joseph W. Ziller; Ming Fang; Filipp Furche; Jeffrey R. Long; William J. Evans","Synthesis, Structure, and Magnetism of an f Element Nitrosyl Complex, (C5Me4H)3UNO","Journal of the American Chemical Society","2012","134","","1243","1249","10.1021/ja2096128","","","0.71073","MoKα","","0.0164","0.0158","","","0.0339","0.0342","","","","","","1.098","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117659","16.8753","0.0013","16.8753","0.0013","16.8753","0.0013","90","","90","","90","","4805.7","0.6","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 Nd O26 -","- C36 H30 In3 N3 Nd O25.99 -","- C144 H120 In12 N12 Nd4 O103.96 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0712","0.0531","","","0.1272","0.1406","","","","","","1.081","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117660","16.8845","0.0002","16.8845","0.0002","16.8845","0.0002","90","","90","","90","","4813.54","0.1","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 O26 Sm -","- C36 H30 In3 N3 O26 Sm -","- C144 H120 In12 N12 O104 Sm4 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0449","0.036","","","0.0936","0.1074","","","","","","1.17","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117661","27.1319","0.0003","27.1319","0.0003","27.1319","0.0003","90","","90","","90","","19972.9","0.4","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N Nd2 O31 -","- C81 H45 In3 N0.99 Nd2 O28 -","- C324 H180 In12 N3.96 Nd8 O112 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0924","0.0772","","","0.2302","0.2525","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117662","27.1344","0.0001","27.1344","0.0001","27.1344","0.0001","90","","90","","90","","19978.4","0.13","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N O31 Pr2 -","- C81 H45 In3 N0.99 O28 Pr2 -","- C324 H180 In12 N3.96 O112 Pr8 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0597","0.0465","","","0.1193","0.1254","","","","","","0.938","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4118645","17.9947","0.0018","17.9947","0.0018","17.9947","0.0018","90","","90","","90","","5826.8","1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H63 F12 Mn N8 P2 -","- C57 H63 F12 Mn N8 P2 -","- C228 H252 F48 Mn4 N32 P8 -","4","0.333333","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.0614","0.0391","","","0.0795","0.0891","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121822","14.763","0.005","14.763","0.005","14.763","0.005","90","0.005","90","0.005","90","0.005","3217.5","1.9","10","","10","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.701 Si34 -","- Na30.804 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","","0.71069","MoKα","","0.0391","0.0373","","","0.0813","0.0826","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121823","14.7679","0.0003","14.7679","0.0003","14.7679","0.0003","90","","90","","90","","3220.74","0.11","90","","90","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.57 Si34 -","- Na30.28 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0422","0.0345","","","0.0791","0.0873","","","","","","1.137","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122712","20.0872","0.0019","20.0872","0.0019","20.0872","0.0019","90","","90","","90","","8105.1","1.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.1252","0.1109","","","0.2419","0.2484","","","","","","1.188","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122713","20.1619","0.0003","20.1619","0.0003","20.1619","0.0003","90","","90","","90","","8195.9","0.2","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1428","0.1245","","","0.2471","0.2548","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122714","20.131","0.0004","20.131","0.0004","20.131","0.0004","90","","90","","90","","8158.2","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 Co2 N12 O14 Zn6 -","- C24 H12 Co2 N12 O14 Zn6 -","- C96 H48 Co8 N48 O56 Zn24 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1206","0.0885","","","0.1769","0.1938","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122715","20.1616","0.0002","20.1616","0.0002","20.1616","0.0002","90","","90","","90","","8195.49","0.14","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1417","0.1223","","","0.2619","0.2732","","","","","","1.061","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122716","20.1405","0.0001","20.1405","0.0001","20.1405","0.0001","90","","90","","90","","8169.79","0.07","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1403","0.1256","","","0.267","0.2745","","","","","","1.104","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4123868","42.16895","0.00009","42.16895","0.00009","42.16895","0.00009","90","","90","","90","","74985.7","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C276 H228 Cl12 Eu4 N36 O80 -","- C276 H228 Cl12 Eu4 N36 O80 -","- C2208 H1824 Cl96 Eu32 N288 O640 -","8","0.666667","","Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu","Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages.","Journal of the American Chemical Society","2015","137","26","8550","8555","10.1021/jacs.5b03972","","x-ray","1.54184","CuKα","","0.2393","0.1309","","","0.3248","0.4183","","","","","","1.038","","","","has coordinates","154633","2020-10-21","18:00:00",""
"4124670","4.775","","4.775","","4.775","","90","","90","","90","","108.873","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Re Si -","- Re Si -","- Re4 Si4 -","4","0.333333","","McNees, R.A.; Searcy, A.W.","The Crystal Structure of Rhenium Monosilicide","Journal of the American Chemical Society","1955","77","","5290","5291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4126244","9.243848","0.000019","9.243848","0.000019","9.243848","0.000019","90","","90","","90","","789.875","0.003","300","","300","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","sodium magnesium nitrodophosphate","","","- Mg2 N Na2 O9 P3 -","- Mg2 N Na2 O9 P3 -","- Mg8 N4 Na8 O36 P12 -","4","0.333333","","Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P.; Yang, Xiao-Qing; Khalifah, Peter G.","In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02323","powder diffraction","","0.77878","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198205","2020-10-21","18:00:00",""
"4126364","19.8599","0.0003","19.8599","0.0003","19.8599","0.0003","90","","90","","90","","7833.1","0.2","20","2","20","2","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Tri(3,5-di-tert-butylphenyl)methane","","- C43 H64 -","- C43 H64 -","- C344 H512 -","8","0.666667","","Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan; Schreiner, Peter R.","London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact.","Journal of the American Chemical Society","2017","139","22","7428","7431","10.1021/jacs.7b01879","","","1.1702","neutron","","0.0323","0.031","","","0.0659","0.0666","","","","","","1.144","","","","has coordinates","200243","2020-10-21","18:00:00",""
"4126700","26.0097","0.0002","26.0097","0.0002","26.0097","0.0002","90","","90","","90","","17595.7","0.2","273","2","273","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C138 H75 Eu N0 O39 Ti4 -","- C138 H75 Eu O39 Ti4 -","- C552 H300 Eu4 O156 Ti16 -","4","0.333333","","He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian","Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09463","","","0.71073","MoKα","","0.1053","0.0727","","","0.1863","0.1971","","","","","","1.031","","","","has coordinates","202914","2020-10-21","18:00:00",""
"4127314","26.2442","0.001","26.2442","0.001","26.2442","0.001","90","","90","","90","","18075.9","1.2","100","2","99.99","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C62 H44.71 Cl5.11 N6 O12 -","- C62 H44.72 Cl5.10833 N6 O12 -","- C744 H536.64 Cl61.3 N72 O144 -","12","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0697","0.0618","","","0.1651","0.171","","","","","","1.028","","","","has coordinates,has disorder","219583","2020-10-21","18:00:00",""
"4129865","25.3688","0.0007","25.3688","0.0007","25.3688","0.0007","90","","90","","90","","16326.8","0.8","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 O23.81 Zn4 -","- C24 H12 O21.945 Zn4 -","- C192 H96 O175.56 Zn32 -","8","0.666667","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.1159","0.0956","","","0.2501","0.2728","","","","","","1.083","","","","has coordinates,has disorder","240517","2020-10-21","18:00:00",""
"4130075","14.2996","0.0009","14.2996","0.0009","14.2996","0.0009","90","","90","","90","","2924","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C26.45 H57.09 B N4 O0.86 P -","- C22.9992 H50.9986 B0.9999 N4 P -","- C91.9968 H203.994 B3.9996 N16 P4 -","4","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0496","0.0428","","","0.1142","0.1209","","","","","","1.054","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4131138","12.394","0.003","12.394","0.003","12.394","0.003","90","","90","","90","","1903.9","0.8","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Cl2 Co N4 -","- C18 H18 Cl2 Co N4 -","- C72 H72 Cl8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0246","0.022","","","0.0485","0.0496","","","","","","1.088","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131140","12.626","0.004","12.626","0.004","12.626","0.004","90","","90","","90","","2012.8","1.1","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Br2 Co N4 -","- C18 H18 Br2 Co N4 -","- C72 H72 Br8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0333","0.0279","","","0.0626","0.0647","","","","","","1.066","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131831","19.894","0.003","19.894","0.003","19.894","0.003","90","","90","","90","","7873","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H112 K N2 Nd O10 -","- C81 H112 K N2 Nd O10 -","- C324 H448 K4 N8 Nd4 O40 -","4","0.333333","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","","0.71073","MoKα","","0.0434","0.0329","","","0.0669","0.0709","","","","","","1.049","","","","has coordinates","241966","2020-10-21","18:00:00",""
"4134527","32.2178","0.0019","32.2178","0.0019","32.2178","0.0019","90","","90","","90","","33442","3","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H108 N24 O22.33 P1.33 -","- C86 H87.9999 N24 O22.3333 P1.33333 -","- C1032 H1056 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54178","CuKα","","0.1445","0.1203","","","0.315","0.3444","","","","","","1.074","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134528","32.135","0.004","32.135","","32.135","","90","","90","","90","","33184","4","150","2","150.02","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C86 H89 N24 O22.33 P1.33 -","- C86 H88.9998 N24 O22.3333 P1.33333 -","- C1032 H1068 N288 O268 P16 -","12","1","","Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao","Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages.","Journal of the American Chemical Society","2020","142","13","6304","6311","10.1021/jacs.0c00882","","","1.54184","CuKα","","0.0766","0.0725","","","0.2063","0.2144","","","","","","1.06","","","","has coordinates,has disorder","250053","2020-10-21","18:00:00",""
"4134603","27.604","0.004","27.604","0.004","27.604","0.004","90","","90","","90","","21034","5","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C119.85 H139.65 Fe8 N31.95 O61.95 -","- C479.4 H558.6 Fe32 N127.8 O247.8 -","4","0.333333","","Chiong, Jerika A.; Zhu, Jie; Bailey, Jake B.; Kalaj, Mark; Subramanian, Rohit; Xu, Wenqian; Cohen, Seth M.; Tezcan, F. Akif","An Exceptionally Stable Metal-Organic Framework Constructed from Chelate-based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01626","","","0.71073","MoKα","","0.071","0.057","","","0.1368","0.1455","","","","","","1.053","","","","has coordinates","249933","2020-10-21","18:00:00",""
"4134869","14.502","","14.502","","14.502","","90","","90","","90","","3049.89","","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0604","0.0537","","","0.1398","0.1426","","","","","","1.231","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134870","14.549","","14.549","","14.549","","90","","90","","90","","3079.64","","350","2","350","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C16 H34 La N8 O20 Rb -","- C17 H13.9999 La N7 O19.9998 Rb -","- C68 H55.9996 La4 N28 O79.9992 Rb4 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0616","0.0535","","","0.1382","0.1417","","","","","","1.107","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134872","14.5479","0.0001","14.5479","0.0001","14.5479","0.0001","90","","90","","90","","3078.94","0.04","353","2","353","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C16 H36 La N9 O20 -","- C14 H13 La N8 O19.9998 -","- C56 H52 La4 N32 O79.9992 -","4","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0558","0.0489","","","0.1298","0.1355","","","","","","1.088","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4301522","15.1693","0.0009","15.1693","0.0009","15.1693","0.0009","90","","90","","90","","3490.6","0.4","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C21 H40 Fe K O22 -","- C21 H33 Fe K O21.99 -","- C84 H132 Fe4 K4 O87.96 -","4","0.333333","","M. Menelaou; C. Mateescu; H. Zhao; I. Rodriguez-Escudero; N. Lalioti; Y. Sanakis; A. Simopoulos; A. Salifoglou","pH-Specific Synthetic Chemistry and Solution Studies in the Binary System of Iron(III) with the α-Hydroxycarboxylate Substrate Quinic Acid: Potential Relevance to Iron Chemistry in Plant Fluids","Inorganic Chemistry","2009","48","","1844","1856","10.1021/ic800356v","","","0.71073","MoKα","","0.0402","0.0385","","","0.1134","0.115","","","","","","1.094","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301523","15.2831","0.0009","15.2831","0.0009","15.2831","0.0009","90","","90","","90","","3569.7","0.4","298","2","298","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C21 H38 Fe N O19 -","- C21 H30 Fe N O18.99 -","- C84 H120 Fe4 N4 O75.96 -","4","0.333333","","M. Menelaou; C. Mateescu; H. Zhao; I. Rodriguez-Escudero; N. Lalioti; Y. Sanakis; A. Simopoulos; A. Salifoglou","pH-Specific Synthetic Chemistry and Solution Studies in the Binary System of Iron(III) with the α-Hydroxycarboxylate Substrate Quinic Acid: Potential Relevance to Iron Chemistry in Plant Fluids","Inorganic Chemistry","2009","48","","1844","1856","10.1021/ic800356v","","","0.71073","MoKα","","0.0819","0.066","","","0.188","0.2015","","","","","","1.139","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301524","15.6019","0.0014","15.6019","0.0014","15.6019","0.0014","90","","90","","90","","3797.8","0.6","303","2","303","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C21 H50 Fe Na O27 -","- C21 H33 Fe Na O27 -","- C84 H132 Fe4 Na4 O108 -","4","0.333333","","M. Menelaou; C. Mateescu; H. Zhao; I. Rodriguez-Escudero; N. Lalioti; Y. Sanakis; A. Simopoulos; A. Salifoglou","pH-Specific Synthetic Chemistry and Solution Studies in the Binary System of Iron(III) with the α-Hydroxycarboxylate Substrate Quinic Acid: Potential Relevance to Iron Chemistry in Plant Fluids","Inorganic Chemistry","2009","48","","1844","1856","10.1021/ic800356v","","","0.71073","MoKα","","0.1063","0.0967","","","0.274","0.2827","","","","","","1.247","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4302167","9.2762","0.0011","9.2762","0.0011","9.2762","0.0011","90","","90","","90","","798.2","0.16","153","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C3 H3 Mn Na O6 -","- C3 H3 Mn Na O6 -","- C12 H12 Mn4 Na4 O24 -","4","0.333333","","Verónica Paredes-García; Andrés Vega; Miguel A. Novak; Maria G. F. Vaz; Denise A. Souza; Diego Venegas-Yazigi; Evgenia Spodine","Crystal Structure and Magnetic Properties of a New Chiral Manganese(II) Three-Dimensional Framework: Na3[Mn3(HCOO)9]","Inorganic Chemistry","2009","48","","4737","4742","10.1021/ic8019292","","","0.71073","MoKα","","0.0265","0.0248","","","0.0719","0.0741","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302792","10.303","0.002","10.303","0.002","10.303","0.002","90","","90","","90","","1093.7","0.4","500","2","500","","","","","","","","see text","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Diptikanta Swain; Tayur N Guru Row","In Situ Phase Separation Following Dehydration in Bimetallic Sulfates: A Variable-Temperature X-Ray Diffraction Study","Inorganic Chemistry","2009","48","","7048","7058","10.1021/ic801308u","","","0.71073","MoKα","","0.145","0.0657","","","0.1296","0.1632","","","","","","1.016","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302984","15.3148","0.0019","15.3148","0.0019","15.3148","0.0019","90","","90","","90","","3592","0.8","298","2","298","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H51 Co K O21 -","- C27 H51 Co K O21 -","- C108 H204 Co4 K4 O84 -","4","0.333333","","M. Menelaou; A. Konstantopai; C. Mateescu; H. Zhao; C. Drouza; N. Lalioti; A. Salifoglou","pH-Dependent Syntheses, Structural and Spectroscopic Characterization, and Chemical Transformations of Aqueous Co(II)-Quinate Complexes: An Effort to Delve into the Structural Speciation of the Binary Co(II)-Quinic Acid System","Inorganic Chemistry","2009","48","","8092","8105","10.1021/ic801500x","","","0.71073","MoKα","","0.0489","0.0365","","","0.077","0.0802","","","","","","1.012","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303789","12.9045","0.0006","12.9045","0.0006","12.9045","0.0006","90","","90","","90","","2148.94","0.17","100","","100","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- Ga4 H14 N3 O2 S9 Sb -","- Ga4 N3 O2 S9 Sb -","- Ga16 N12 O8 S36 Sb4 -","4","0.333333","","Joshua L. Mertz; Nan Ding; Mercouri G. Kanatzidis","Three-Dimensional Frameworks of Cubic (NH4)5Ga4SbS10, (NH4)4Ga4SbS9(OH).H2O, and (NH4)3Ga4SbS9(OH2).2H2O","Inorganic Chemistry","2009","48","","10898","10900","10.1021/ic901927r","","","0.41328","synchrotron","","0.0459","0.0393","","","0.1167","0.1239","","","","","","0.957","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303790","12.9","0.0005","12.9","0.0005","12.9","0.0005","90","","90","","90","","2146.69","0.14","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Ga4 H20 N5 S10 Sb -","- Ga4 N5 S10 Sb -","- Ga16 N20 S40 Sb4 -","4","0.333333","","Joshua L. Mertz; Nan Ding; Mercouri G. Kanatzidis","Three-Dimensional Frameworks of Cubic (NH4)5Ga4SbS10, (NH4)4Ga4SbS9(OH).H2O, and (NH4)3Ga4SbS9(OH2).2H2O","Inorganic Chemistry","2009","48","","10898","10900","10.1021/ic901927r","","","0.71073","MoKα","","0.0813","0.0773","","","0.2133","0.2151","","","","","","1.717","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303791","12.9","0.0005","12.9","0.0005","12.9","0.0005","90","","90","","90","","2146.69","0.14","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Ga4 H20 N5 S10 Sb -","- Ga4 N5 S10 Sb -","- Ga16 N20 S40 Sb4 -","4","0.333333","","Joshua L. Mertz; Nan Ding; Mercouri G. Kanatzidis","Three-Dimensional Frameworks of Cubic (NH4)5Ga4SbS10, (NH4)4Ga4SbS9(OH).H2O, and (NH4)3Ga4SbS9(OH2).2H2O","Inorganic Chemistry","2009","48","","10898","10900","10.1021/ic901927r","","","0.71073","MoKα","","0.0777","0.0737","","","0.1388","0.1402","","","","","","1.398","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303792","12.9098","0.0004","12.9098","0.0004","12.9098","0.0004","90","","90","","90","","2151.59","0.12","100","","100","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- Ga4 H14 N3 O2 S9 Sb -","- Ga4 N3 O2 S9 Sb -","- Ga16 N12 O8 S36 Sb4 -","4","0.333333","","Joshua L. Mertz; Nan Ding; Mercouri G. Kanatzidis","Three-Dimensional Frameworks of Cubic (NH4)5Ga4SbS10, (NH4)4Ga4SbS9(OH).H2O, and (NH4)3Ga4SbS9(OH2).2H2O","Inorganic Chemistry","2009","48","","10898","10900","10.1021/ic901927r","","","0.41328","synchrotron","","0.0463","0.0457","","","0.158","0.1586","","","","","","1.306","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4304551","33.9178","0.0008","33.9178","0.0008","33.9178","0.0008","90","","90","","90","","39019.6","1.6","223","2","223","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C102 H265 N39 Nd20 Ni21 O254 -","- C102 H141 N39 Nd20 Ni21 O254 -","- C408 H564 N156 Nd80 Ni84 O1016 -","4","0.333333","","Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng","Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions","Inorganic Chemistry","2008","47","","2728","2739","10.1021/ic702079e","","","0.71073","MoKα","","0.1722","0.0774","","","0.1555","0.2054","","","","","","1.006","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4305165","22.808","0.0007","22.808","0.0007","22.808","0.0007","90","","90","","90","","11864.8","0.6","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C36 H58 Cl5 N8 O17 -","- C36 H58 Cl5 N8 O17 -","- C288 H464 Cl40 N64 O136 -","8","0.666667","","I. Ravikumar; P. S. Lakshminarayanan; E. Suresh; Pradyut Ghosh","Spherical versus Linear Anion Encapsulation in the Cavity of a Protonated Azacryptand","Inorganic Chemistry","2008","47","","7992","7999","10.1021/ic702056y","","","0.71073","MoKα","","0.0896","0.0763","","","0.1977","0.2053","","","","","","1.08","","","","has coordinates","288155","2023-12-07","17:20:21",""
"4305346","11.586817","0.000034","11.586817","","11.586817","","90","","90","","90","","1555.58","0.005","295","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","Bismuth technetate","Tribismuth technetium (VII) oxide","","- Bi3 O8 Tc -","- Bi3 O8 Tc -","- Bi24 O64 Tc8 -","8","0.666667","","Efrain E. Rodriguez; Frédéric Poineau; Anna Llobet; Ken Czerwinski; Ram Seshadri; Anthony K. Cheetham","Preparation and Crystal Structures of Bismuth Technetates: A New Metal Oxide System","Inorganic Chemistry","2008","47","","6281","6288","10.1021/ic8003273","powder diffraction","","","","","","","","","","","","","2","","","","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305796","14.152","0.0003","14.152","0.0003","14.152","0.0003","90","","90","","90","","2834.35","0.1","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Co/Zn-MOF-4","Co/Zn-MOF-4","","- C13.5 H24 Co N2.5 O12 Zn -","- C13.5 H24 Co N2.5 O12.01 Zn -","- C54 H96 Co4 N10 O48.04 Zn4 -","4","0.333333","","Stephen R. Caskey; Adam J. Matzger","Selective Metal Substitution for the Preparation of Heterobimetallic Microporous Coordination Polymers","Inorganic Chemistry","2008","47","","7942","7944","10.1021/ic8007427","","","1.54187","CuKα","","0.1502","0.0957","","","0.2625","0.321","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306844","11.3362","0.0011","11.3362","0.0011","11.3362","0.0011","90","","90","","90","","1456.8","0.2","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C10 H21 Cl Cu N3 O5 -","- C10 H21 Cl Cu N3 O5 -","- C40 H84 Cl4 Cu4 N12 O20 -","4","0.333333","","Masato Kujime; Takuya Kurahashi; Masaaki Tomura; Hiroshi Fujii","63Cu NMR Spectroscopy of Copper(I) Complexes with Various Tridentate Ligands: CO as a Useful 63Cu NMR Probe for Sharpening 63Cu NMR Signals and Analyzing the Electronic Donor Effect of a Ligand","Inorganic Chemistry","2007","46","","541","551","10.1021/ic060745r","","","0.7107","MoKα","","0.02","0.0198","","","0.0517","0.0518","","","","","","1.043","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4307307","16.451","0.003","16.451","0.003","16.451","0.003","90","","90","","90","","4452.2","1.4","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C19.5 H49 Cl7 Mo3 Ni P6 S4 -","- C19.5 H48 Cl7 Mo3 Ni P6 S4 -","- C78 H192 Cl28 Mo12 Ni4 P24 S16 -","4","0.333333","","Juan Andrés; Marta Feliz; Jordi Fraxedas; Victor Hernández; Juan T. López-Navarrete; Rosa Llusar; Guillaume Sauthier; Fabricio R. Sensato; Bernard Silvi; Carles Bo; Josep M. Campanera","Combined Theoretical and Experimental Analysis of the Bonding in the Heterobimetallic Cubane-Type Mo3NiS4 and Mo3CuS4 Core Clusters","Inorganic Chemistry","2007","46","","2159","2166","10.1021/ic061853g","","","0.71073","MoKα","","0.0512","0.0363","","","0.0898","0.0947","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307640","25.1232","0.0011","25.1232","0.0011","25.1232","0.0011","90","","90","","90","","15857.1","1.2","180","2","180","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C135 H156 Cl6 Co6 N18 O45 -","- C135 H156 Cl6 Co6 N18 O45 -","- C540 H624 Cl24 Co24 N72 O180 -","4","0.333333","","Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie","Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2007","46","","2224","2236","10.1021/ic062131s","","","0.71073","MoKα","","0.1153","0.0878","","","0.24","0.2701","","","","","","1.045","","","","has coordinates,has disorder","179114","2020-10-21","18:00:00",""
"4309149","18.5702","0.0015","18.5702","0.0015","18.5702","0.0015","90","","90","","90","","6404","0.9","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C6 H6 F18 La N3 O15 S6 -","- C6 H6 F18 La N3 O15 S6 -","- C48 H48 F144 La8 N24 O120 S48 -","8","0.666667","","Anand I. Bhatt; Iain May; Vladimir A. Volkovich; David Collison; Madeleine Helliwell; Ilya B. Polovov; Robert G. Lewin","Structural Characterization of a Lanthanum Bistriflimide Complex, La(N(SO2CF3)2)3(H2O)3, and an Investigation of La, Sm, and Eu Electrochemistry in a Room-Temperature Ionic Liquid, [Me3NnBu][N(SO2CF3)2]","Inorganic Chemistry","2005","44","","4934","4940","10.1021/ic048199u","","","0.71073","MoKα","","0.046","0.0394","","","0.0865","0.0898","","","","","","1.034","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4313552","16.134","0.0004","16.134","0.0004","16.134","0.0004","90","","90","","90","","4199.78","0.18","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C38 H38 Ag3 Cl3 N6 O12 -","- C38 H38 Ag3 Cl3 N6 O12 -","- C152 H152 Ag12 Cl12 N24 O48 -","4","0.333333","","Dong Mok Shin; In Su Lee; Young-A Lee; Young Keun Chung","Self-Assembly between Silver(I) and Di- and Tri-2-pyridines with Flexible Spacer: Formation of Discrete Metallocycle versus Coordination Polymer","Inorganic Chemistry","2003","42","","2977","2982","10.1021/ic0260163","","","0.71073","MoKα","","0.0778","0.0619","","","0.1558","0.1881","","","","","","1.171","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4314238","13.2054","0.0003","13.2054","0.0003","13.2054","0.0003","90","","90","","90","","2302.79","0.09","193","2","193","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C18 H21 I3 N4 -","- C18 H21 I3 N4 -","- C72 H84 I12 N16 -","4","0.333333","","Lydia Karmazin; Marinella Mazzanti; Jacques Pécaut","Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV)","Inorganic Chemistry","2003","42","","5900","5908","10.1021/ic0343004","","","0.71073","MoKα","","0.0215","0.0203","","","0.0492","0.0495","","","","","","1.075","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4315136","6.8237","0.00006","6.8237","0.00006","6.8237","0.00006","90","","90","","90","","317.731","0.005","295","","295","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","potassium sodium magnesium orthoborate","","- B K0.83 Mg Na0.17 O3 -","- B K0.8342 Mg Na0.1658 O3 -","- B4 K3.3368 Mg4 Na0.6632 O12 -","4","0.333333","","Li Wu; Jiancheng Sun; Yi Zhang; Shifeng Jin; Yongfa Kong; Jingjun Xu","Structure Determination and Relative Properties of Novel Chiral Orthoborate KMgBO3","Inorganic Chemistry","2010","49","","2715","2720","10.1021/ic901963t","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315137","6.83443","0.00004","6.83443","0.00004","6.83443","0.00004","90","","90","","90","","319.232","0.003","295","","295","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","potassium magnesium orthoborate","","- B K Mg O3 -","- B K Mg O3 -","- B4 K4 Mg4 O12 -","4","0.333333","","Li Wu; Jiancheng Sun; Yi Zhang; Shifeng Jin; Yongfa Kong; Jingjun Xu","Structure Determination and Relative Properties of Novel Chiral Orthoborate KMgBO3","Inorganic Chemistry","2010","49","","2715","2720","10.1021/ic901963t","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315138","6.82475","0.00006","6.82475","0.00006","6.82475","0.00006","90","","90","","90","","317.878","0.005","295","","295","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","potassium sodium magnesium orthoborate","","- B K0.92 Mg Na0.08 O3 -","- B K0.9196 Mg Na0.0804 O3 -","- B4 K3.6784 Mg4 Na0.3216 O12 -","4","0.333333","","Li Wu; Jiancheng Sun; Yi Zhang; Shifeng Jin; Yongfa Kong; Jingjun Xu","Structure Determination and Relative Properties of Novel Chiral Orthoborate KMgBO3","Inorganic Chemistry","2010","49","","2715","2720","10.1021/ic901963t","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315297","15.5098","0.0006","15.5098","0.0006","15.5098","0.0006","90","","90","","90","","3730.9","0.2","293","","293","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H24 Cr N6 Na O12 Ru -","- C36 H24 Cr N6 Na O12 Ru -","- C144 H96 Cr4 N24 Na4 O48 Ru4 -","4","0.333333","","Mia Milos; Tiphaine Penhouet; Prodipta Pal; Andreas Hauser","Structural Study of Mixed Crystals of [Zn1-xRux(bpy)3][NaCr(ox)3] Probed by High-Resolution Absorption Spectroscopy and High-Pressure Experiments","Inorganic Chemistry","2010","49","","3402","3408","10.1021/ic902514w","","","0.71073","MoKα","","0.0492","0.0445","","0.0662","0.0654","0.0662","","","","","","0.8736","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316067","8.6144","0.0003","8.6144","0.0003","8.6144","0.0003","90","","90","","90","","639.26","0.04","103","2","103","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Br O F2 (As F6)","","","- As Br F8 O -","- As Br F8.01 O0.99 -","- As4 Br4 F32.04 O3.96 -","4","0.333333","","David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi","XeF2 Coordination to a Halogen Center; Raman Spectra (n= 1, 2) and X-ray Crystal Structures (n= 2) of [BrOF2][AsF6].nXeF2 and [XOF2][AsF6] (X = Cl, Br)","Inorganic Chemistry","2010","49","","6673","6689","10.1021/ic100712y","","","0.71073","MoKα","","0.0218","0.0198","","","0.0368","0.037","","","","","","1.698","","","","has coordinates","179240","2020-10-21","18:00:00",""
"4316925","16.4744","0.0008","16.4744","0.0008","16.4744","0.0008","90","","90","","90","","4471.2","0.4","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C38 H32 As Bi Cl6 S6 -","- C38 H30 As Bi Cl5.99 S6 -","- C152 H120 As4 Bi4 Cl23.96 S24 -","4","0.333333","","Virginia M. Cangelosi; Timothy G. Carter; Justin L. Crossland; Lev N. Zakharov; Darren W. Johnson","Self-Assembled E2L3 Cryptands (E = P, As, Sb, Bi): Transmetalation, Homo- and Heterometallic Assemblies, and Conformational Isomerism","Inorganic Chemistry","2010","49","","9985","9992","10.1021/ic1012186","","","0.71073","MoKα","","0.053","0.0449","","","0.1012","0.104","","","","","","1.031","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4318362","21.248","0.003","21.248","0.003","21.248","0.003","90","","90","","90","","9593","2","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C90 H108 Cl2 N18 Ni4 O20 -","- C90 H102 Cl2 N18 Ni4 O20 -","- C360 H408 Cl8 N72 Ni16 O80 -","4","0.333333","","Vitaly Pavlishchuk; Frank Birkelbach; Thomas Weyhermüller; Karl Wieghardt; Phalguni Chaudhuri","Polynuclear Complexes of the Pendent-Arm Ligand 1,4,7-Tris(acetophenoneoxime)-1,4,7-triazacyclononane","Inorganic Chemistry","2002","41","","4405","4416","10.1021/ic011322m","","","0.71073","MoKα","","0.0936","0.0697","","0.204","0.1745","","","","1.05","1.059","1.059","","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318549","19.312","0.002","19.312","0.002","19.312","0.002","90","","90","","90","","7202.5","1.3","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","R,R-7Cl.solvate","","","- C52 H84 Cl2 Cu5 N6.5 O4 S6 -","- C52 H84 Cl2.001 Cu5 N6.5 O3.98 S6 -","- C208 H336 Cl8.004 Cu20 N26 O15.92 S24 -","4","0.333333","","Robert T. Stibrany; Ronald Fikar; Mark Brader; Marc N. Potenza; Joseph A. Potenza; Harvey J. Schugar","Charge-Transfer Spectra of Structurally Characterized Mixed-Valence Thiolate-Bridged Cu(I)/Cu(II) Cluster Complexes","Inorganic Chemistry","2002","41","","5203","5215","10.1021/ic020156v","","","0.71073","MoKα","","0.0538","0.0395","","","0.0927","0.0991","","","","","","1.011","","","","has coordinates,has disorder","179265","2020-10-21","18:00:00",""
"4319952","15.4804","0.0004","15.4804","0.0004","15.4804","0.0004","90","","90","","90","","3709.77","0.17","213","2","293","2","","","","","","","synthesis","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H36 Cl4 Mn P2 -","- C38 H36 Cl4 Mn P2 -","- C152 H144 Cl16 Mn4 P8 -","4","0.333333","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0369","0.0343","","0.0966","0.088","","","","1.101","1.097","1.097","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4322242","9.9001","0.0014","9.9001","0.0014","9.9001","0.0014","90","","90","","90","","970.3","0.2","294","2","294","2","","","","","","","Pyrolysis of cesium dibromoamino-tris(trifluoromethyl)borate","5","P 21 3","P 2ac 2ab 3","198","","Cesium bromo-tris(trifluoromethyl)borate","","- C3 B Br Cs F9 -","- C3 B Br Cs F9 -","- C12 B4 Br4 Cs4 F36 -","4","0.333333","","David J. Brauer; Hans Bürger; Yonas Chebude; Gottfried Pawelke","Halogenation of (CF3)3B.NH3: N,N-Dihaloamino- and Halo-tris(trifluoromethyl)borates [(CF3)3B-NX2]- and [(CF3)3B-X]-, X = F, Cl, Br","Inorganic Chemistry","1999","38","","3972","3977","10.1021/ic990352a","","","0.71073","MoKα","","0.0631","0.0463","","0.149","0.1445","","","","1.024","1.2","1.2","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322245","9.8059","0.0009","9.8059","0.0009","9.8059","0.0009","90","","90","","90","","942.89","0.15","294","2","294","2","","","","","","","Pyrolysis of Cesium dichloroamino-tris(trifluoromethyl)borate","5","P 21 3","P 2ac 2ab 3","198","","Cesium chloro-tris(trifluoromethyl)borate","","- C3 B Cl Cs F9 -","- C3 B Cl Cs F9 -","- C12 B4 Cl4 Cs4 F36 -","4","0.333333","","David J. Brauer; Hans Bürger; Yonas Chebude; Gottfried Pawelke","Halogenation of (CF3)3B.NH3: N,N-Dihaloamino- and Halo-tris(trifluoromethyl)borates [(CF3)3B-NX2]- and [(CF3)3B-X]-, X = F, Cl, Br","Inorganic Chemistry","1999","38","","3972","3977","10.1021/ic990352a","","","0.71073","MoKα","","0.0252","0.0237","","0.0639","0.0633","","","","1.082","1.099","1.099","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322310","15.289","0.002","15.289","0.002","15.289","0.002","90","","90","","90","","3573.9","0.8","295","","295","","","","","","","","?","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H26 Cr Li N6 O13 Ru -","- C36 H24 Cr Li N6 O13 Ru -","- C144 H96 Cr4 Li4 N24 O52 Ru4 -","4","0.333333","","Román Andrés; Michel Gruselle; Bernard Malézieux; Michel Verdaguer; Jacqueline Vaissermann","Enantioselective Synthesis of Optically Active Polymeric Homo- and Bimetallic Oxalate-Bridged Networks [M2(ox)3]n","Inorganic Chemistry","1999","38","","4637","4646","10.1021/ic9904135","","","0.71069","MoKα","","","0.0305","","","0.0351","","","","","1.1143","1.1143","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322311","15.38","0.005","15.38","0.005","15.38","0.005","90","","90","","90","","3638","2","295","","295","","","","","","","","?","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H26 Cr Li N6 Ni O13 -","- C36 H24 Cr Li N6 Ni O13 -","- C144 H96 Cr4 Li4 N24 Ni4 O52 -","4","0.333333","","Román Andrés; Michel Gruselle; Bernard Malézieux; Michel Verdaguer; Jacqueline Vaissermann","Enantioselective Synthesis of Optically Active Polymeric Homo- and Bimetallic Oxalate-Bridged Networks [M2(ox)3]n","Inorganic Chemistry","1999","38","","4637","4646","10.1021/ic9904135","","","0.71069","MoKα","","","0.0476","","","0.0578","","","","","0.9549","0.9549","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4325277","21.51","0.007","21.51","0.007","21.51","0.007","90","","90","","90","","9952","6","110","2","110","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H96 La3 N21 Ni6 O51 -","- C48 H96 La3 N21 Ni6 O51 -","- C192 H384 La12 N84 Ni24 O204 -","4","0.333333","","Tereza Peristeraki; Marianna Samios; Milosz Siczek; Tadeusz Lis; Constantinos J. Milios","Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry","Inorganic Chemistry","2011","50","","5175","5185","10.1021/ic2004744","","","0.71073","MoKα","","0.071","0.0469","","","0.1283","0.1357","","","","","","1.077","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4327095","17.372","0.003","17.372","0.003","17.372","0.003","90","","90","","90","","5242.6","1.6","150","2","150","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C42 H58 B Cl6 Ga I2 N6 S3 -","- C42 H58 B Cl6 Ga I2 N6 S3 -","- C168 H232 B4 Cl24 Ga4 I8 N24 S12 -","4","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0485","0.0401","","","0.1091","0.1153","","","","","","1.042","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4328120","10.0405","0.0006","10.0405","0.0006","10.0405","0.0006","90","","90","","90","","1012.2","0.1","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Fe2 K2 Mo O12 P2 -","- Fe2 K2 Mo0.9393 O12 P2.0727 -","- Fe8 K8 Mo3.7572 O48 P8.2908 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0408","0.0401","","","0.0866","0.0868","","","","","","1.289","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328121","10.3372","0.0002","10.3372","0.0002","10.3372","0.0002","90","","90","","90","","1104.61","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P2 Sc2 W -","- K2 O12 P2.01 Sc2 W0.99 -","- K8 O48 P8.04 Sc8 W3.96 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0447","0.0324","","","0.0468","0.0486","","","","","","0.871","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328122","10.3179","0.0002","10.3179","0.0002","10.3179","0.0002","90","","90","","90","","1098.43","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mo O12 P2 Sc2 -","- K2 Mo0.99 O12 P2.01 Sc2 -","- K8 Mo3.96 O48 P8.04 Sc8 -","4","0.333333","","Nikolay S. Slobodyanik; Kateryna V. Terebilenko; Ivan V. Ogorodnyk; Igor V. Zatovsky; Maksym Seredyuk; Vyacheslav N. Baumer; Philipp Gütlich","K2MIII2(MVIO4)(PO4)2 (MIII= Fe, Sc; MVI= Mo, W), Novel Members of the Lagbeinite-Related Family: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","1380","1385","10.1021/ic201575v","","x-ray","0.71073","MoKα","","0.0458","0.0399","","","0.0789","0.0802","","","","","","0.969","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4329468","18.5472","0.0004","18.5472","0.0004","18.5472","0.0004","90","","90","","90","","6380.2","0.2","180","2","180","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido)-tris(triethylphosphine) -methyl-tetra-copper-gallium","","- C55 H78 Cu4 Ga P3 Se6 -","- C55 H77.97 Cu4 Ga P3 Se6 -","- C220 H311.88 Cu16 Ga4 P12 Se24 -","4","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0257","0.024","","","0.0542","0.0548","","","","","","1.069","","","","has coordinates,has disorder","179397","2020-10-21","18:00:00",""
"4331092","15.4332","0.0004","15.4332","0.0004","15.4332","0.0004","90","","90","","90","","3675.94","0.17","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H33 Cl4 Co2 N7 O6 -","- C30 H33 Cl4 Co2 N7 O6 -","- C120 H132 Cl16 Co8 N28 O24 -","4","0.333333","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0276","0.0231","","","0.0556","0.0577","","","","","","1.036","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331650","21.2171","0.0006","21.2171","0.0006","21.2171","0.0006","90","","90","","90","","9551.2","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H121 Co3 O42 P10 Ti3 -","- C68 H124 Co4 O67.6667 P13.3333 Ti4 -","- C204 H372 Co12 O203 P40 Ti12 -","3","0.25","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0505","0.0455","","","0.1185","0.1213","","","","","","1.092","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4332567","23.917","0.003","23.917","0.003","23.917","0.003","90","","90","","90","","13681","3","130.15","","130.15","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C54 H66.5 Cl2.5 Co4 N9 Na O30 -","- C54 H57 Cl2.5 Co4 N9 Na O30.01 -","- C432 H456 Cl20 Co32 N72 Na8 O240.08 -","8","0.666667","","Li, Yamin; Xiang, Shengchang; Sheng, Tianlu; Zhang, Jianjun; Hu, Shengmin; Fu, Ruibiao; Huang, Xihe; Wu, Xintao","Two Chiral Metal Clusters Derived from Nucleophilic Addition ofl-proline to Di-2-pyridyl Ketone","Inorganic Chemistry","2006","45","17","6577","6579","10.1021/ic060530h","","","0.71073","MoKα","","0.0696","0.0671","","","0.1841","0.1883","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332568","23.8703","0.0008","23.8703","0.0008","23.8703","0.0008","90","","90","","90","","13601.1","0.8","130.15","","130.15","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C54 H66.5 Cl2.5 N9 Na Ni4 O30 -","- C54 H57 Cl2.5 N9 Na Ni4 O30.01 -","- C432 H456 Cl20 N72 Na8 Ni32 O240.08 -","8","0.666667","","Li, Yamin; Xiang, Shengchang; Sheng, Tianlu; Zhang, Jianjun; Hu, Shengmin; Fu, Ruibiao; Huang, Xihe; Wu, Xintao","Two Chiral Metal Clusters Derived from Nucleophilic Addition ofl-proline to Di-2-pyridyl Ketone","Inorganic Chemistry","2006","45","17","6577","6579","10.1021/ic060530h","","","0.71073","MoKα","","0.0762","0.0729","","","0.2012","0.2038","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334290","15.1661","0.0001","15.1661","0.0001","15.1661","0.0001","90","","90","","90","","3488.36","0.04","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","[Cu(1)(CO)]PF6","","","- C31 H21 Cu F18 N3 O P -","- C31 H21 Cu F17.96 N3 O P -","- C124 H84 Cu4 F71.84 N12 O4 P4 -","4","0.333333","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.0373","0.0342","","","0.0971","0.0986","","","","","","1.052","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334291","15.312","0.002","15.312","0.002","15.312","0.002","90","","90","","90","","3590","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","[Cu(1)(NCMe)]PF6","","","- C32 H24 Cu F18 N4 P -","- C32 H23.97 Cu F17.96 N4 P -","- C128 H95.88 Cu4 F71.84 N16 P4 -","4","0.333333","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.09","0.0569","","","0.1302","0.1482","","","","","","1.04","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334317","14.1069","0.0016","14.1069","0.0016","14.1069","0.0016","90","","90","","90","","2807.3","0.6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H24 N4 O12 Zn2 -","- C18 H24 N3.99 O11.97 Zn2 -","- C72 H96 N15.96 O47.88 Zn8 -","4","0.333333","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.085","0.0691","","","0.1898","0.2134","","","","","","1.061","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4335600","11.8837","0.0002","11.8837","0.0002","11.8837","0.0002","90","","90","","90","","1678.24","0.05","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cl6 Hg6 P4 Pb -","- Cl6 Hg6 P4 Pb -","- Cl24 Hg24 P16 Pb4 -","4","0.333333","","Xiao-Ming Jiang; Guan-E Wang; Zhi-Fa Liu; Ming-Jian Zhang; Guo-Cong Guo","Large Mid-IR Second-Order Nonlinear-Optical Effects Designed by the Supramolecular Assembly of Different Bond Types without IR Absorption","Inorganic Chemistry","2013","52","","8865","8871","10.1021/ic401056t","","","0.71073","MoKα","","0.0286","0.0286","","","0.08","0.08","","","","","","1.087","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4339087","16.115","0.002","16.115","0.002","16.115","0.002","90","","90","","90","","4185","0.9","273","2","273","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C42 H24 Fe2 N6 Na O12 -","- C42 H24 Fe2 N6 Na O12 -","- C168 H96 Fe8 N24 Na4 O48 -","4","0.333333","","Li, Pei-zhou; Lu, Xiao-ming; Liu, Bo; Wang, Shuo; Wang, Xiao-jun","Self-Assembly of Two Chiral Supramolecules with Three-Dimensional Porous Host Frameworks: (Delta){[Fe(II)(phen)(3)][Fe(III)Na(C(2)O(4))(3)]}(n)() and Its Enantiomer.","Inorganic chemistry","2007","46","15","5823","5825","10.1021/ic070214i","","","0.71073","MoKα","","0.1203","0.0699","","","0.1813","0.2143","","","","","","1.011","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4339088","16.1281","0.0014","16.1281","0.0014","16.1281","0.0014","90","","90","","90","","4195.2","0.6","273","2","273","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C42 H24 Fe2 N6 Na O12 -","- C42 H24 Fe2 N6 Na O12 -","- C168 H96 Fe8 N24 Na4 O48 -","4","0.333333","","Li, Pei-zhou; Lu, Xiao-ming; Liu, Bo; Wang, Shuo; Wang, Xiao-jun","Self-Assembly of Two Chiral Supramolecules with Three-Dimensional Porous Host Frameworks: (Delta){[Fe(II)(phen)(3)][Fe(III)Na(C(2)O(4))(3)]}(n)() and Its Enantiomer.","Inorganic chemistry","2007","46","15","5823","5825","10.1021/ic070214i","","","0.71073","MoKα","","0.1497","0.0715","","","0.1689","0.2109","","","","","","0.992","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339107","12.4157","0.0001","12.4157","0.0001","12.4157","0.0001","90","","90","","90","","1913.88","0.03","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Cl2 Cu N4 -","- C18 H18 Cl2 Cu N4 -","- C72 H72 Cl8 Cu4 N16 -","4","0.333333","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition in the presence of catalytic amounts of copper(I/II) complexes with tris(2-pyridylmethyl)amine.","Inorganic chemistry","2007","46","15","5844","5846","10.1021/ic700908m","","","0.71073","MoKα","","0.0184","0.017","","","0.0455","0.046","","","","","","1.054","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4341716","12.8417","0.0002","12.8417","0.0002","12.8417","0.0002","90","","90","","90","","2117.72","0.06","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Barium nona-manganese(II) di-hydroxide hexa-vanadate","","- Ba H2 Mn9 O26 V6 -","- Ba H2 Mn9 O26 V6 -","- Ba4 H8 Mn36 O104 V24 -","4","0.333333","","Sun, Kewen; Litvinchuk, Alexander P.; Tapp, Joshua; Lorenz, Bernd; Möller, Angela","BaMn9[VO4]6(OH)2: A Unique Canted Antiferromagnet with a Chiral ""Paddle-Wheel"" Structural Feature.","Inorganic chemistry","2015","54","3","898","904","10.1021/ic502266k","","","0.71073","MoKα","","0.0266","0.022","","","0.0601","0.0625","","","","","","1.147","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4343016","21.693","0.004","21.693","0.004","21.693","0.004","90","","90","","90","","10208","3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Co4-TEA(R)","","","- C96 H94 Co4 N7 O12 -","- C96 H94 Co4 N7 O12 -","- C384 H376 Co16 N28 O48 -","4","0.333333","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.083","0.0791","","","0.1985","0.2024","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343017","21.652","0.007","21.652","0.007","21.652","0.007","90","","90","","90","","10151","6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Co4-TEA(S)","","","- C96 H94 Co4 N7 O12 -","- C96 H94 Co4 N7 O12 -","- C384 H376 Co16 N28 O48 -","4","0.333333","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0974","0.0847","","","0.2118","0.2243","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344436","18.2027","0.0002","18.2027","0.0002","18.2027","0.0002","90","","90","","90","","6031.25","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H66 Co N6 O16 U2 -","- C57 H66 Co N6 O16 U2 -","- C228 H264 Co4 N24 O64 U8 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0402","0.03","","","0.0638","0.0657","","","","","","1.059","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344437","18.1944","0.0002","18.1944","0.0002","18.1944","0.0002","90","","90","","90","","6023","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H66 N6 Ni O16 U2 -","- C57 H66 N6 Ni O16 U2 -","- C228 H264 N24 Ni4 O64 U8 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0358","0.03","","","0.0687","0.0706","","","","","","1.048","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4345036","14.1508","0.0005","14.1508","0.0005","14.1508","0.0005","90","","90","","90","","2833.63","0.17","100","1","100","1","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C19 H39 Cl Co N2 O4 S4 -","- C19 H39 Cl Co N2 O4 S4 -","- C76 H156 Cl4 Co4 N8 O16 S16 -","4","0.333333","","Shao, Feng; Cahier, Benjamin; Rivière, Eric; Guillot, Régis; Guihéry, Nathalie; Campbell, Victoria E.; Mallah, Talal","Structural Dependence of the Ising-type Magnetic Anisotropy and of the Relaxation Time in Mononuclear Trigonal Bipyramidal Co(II) Single Molecule Magnets.","Inorganic chemistry","2017","56","3","1104","1111","10.1021/acs.inorgchem.6b01966","","x-ray","0.71073","MoKα","","0.0538","0.0493","","","0.1176","0.1197","","","","","","1.115","","","","has coordinates","193460","2020-10-21","18:00:00",""
"4345348","10.00478","0.00003","10.00478","0.00003","10.00478","0.00003","90","","90","","90","","1001.43","0.005","293","","293","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- Fe2 K2 O12 S3 -","- Fe2 K2 O12 S3 -","- Fe8 K8 O48 S12 -","4","0.333333","","Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie","Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.","Inorganic chemistry","2017","56","4","2013","2021","10.1021/acs.inorgchem.6b02526","powder diffraction","","1.54056","CuKα","","","","","","","","","3.4194","","","","","","","","has coordinates","192900","2020-10-21","18:00:00",""
"4345655","17.0345","0.0005","17.0345","","17.0345","","90","","90","","90","","4942.97","0.15","100.15","","100.15","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C54 H69 Fe N7 O -","- C54 H69 Fe N7 O -","- C216 H276 Fe4 N28 O4 -","4","0.333333","","Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.","Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.","Inorganic chemistry","2017","56","9","4852","4863","10.1021/acs.inorgchem.6b03071","","x-ray","0.71073","MoKα","","0.031","0.0303","","","0.076","0.0764","","","","","","1.139","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4345974","16.4177","0.0005","16.4177","0.0005","16.4177","0.0005","90","","90","","90","","4425.2","0.2","100","1","100","1","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H61 Cl4 Co N11 O2 -","- C36 H60.9996 Cl4.0002 Co N11 O2 -","- C144 H243.998 Cl16.0008 Co4 N44 O8 -","4","0.333333","","El-Khatib, Fatima; Cahier, Benjamin; Shao, Feng; López-Jordà, Maurici; Guillot, Régis; Rivière, Eric; Hafez, Hala; Saad, Zeinab; Girerd, Jean-Jacques; Guihéry, Nathalie; Mallah, Talal","Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00205","","x-ray","0.71073","MoKα","","0.076","0.0663","","","0.1717","0.1824","","","","","","1.069","","","","has coordinates","198955","2020-10-21","18:00:00",""
"4346333","16.4405","0.0018","16.4405","0.0018","16.4405","0.0018","90","","90","","90","","4443.7","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H27 B2 F8 Fe N25 -","- C30 H27 B2 F8 Fe N25 -","- C120 H108 B8 F32 Fe4 N100 -","4","0.333333","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1001","0.0954","","","0.2193","0.2219","","","","","","1.175","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4347383","23.042","0.0013","23.042","0.0013","23.042","0.0013","90","","90","","90","","12233.8","1.2","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C103 H109 Cl5 Cs N24 Ni8 O42 P3 -","- C103 H105 Cl5 Cs N24 Ni8 O42 P3 -","- C412 H420 Cl20 Cs4 N96 Ni32 O168 P12 -","4","0.333333","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0773","0.0723","","","0.2016","0.2068","","","","","","1.068","","","","has coordinates","232297","2020-10-21","18:00:00",""
"4347545","11.6922","0.0007","11.6922","0.0007","11.6922","0.0007","90","","90","","90","","1598.41","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C11 H24 B Cu F4 N4 -","- C11 H23.9997 B Cu F4 N4 -","- C44 H95.9988 B4 Cu4 F16 N16 -","4","0.333333","","Pal, Nabhendu; Majumdar, Amit","Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.","Inorganic chemistry","2016","55","6","3181","3191","10.1021/acs.inorgchem.6b00316","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.045","0.0455","","","","","","1.087","","","","has coordinates,has disorder","232372","2020-10-21","18:00:00",""
"4349992","17.2759","0.0008","17.2759","0.0008","17.2759","0.0008","90","","90","","90","","5156.1","0.4","113","2","113","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C37 H45 Cl8 Fe3 N12 O4 S3 -","- C36.99 H39 Cl8 Fe3 N12 O4 S3 -","- C147.96 H156 Cl32 Fe12 N48 O16 S12 -","4","0.333333","","Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan","An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities","Inorganic Chemistry Frontiers","2019","6","4","1040","","10.1039/C9QI00030E","","","0.71073","MoKα","","0.0399","0.0331","","","0.0828","0.0869","","","","","","1.026","","","","has coordinates","237924","2020-10-21","18:00:00",""
"4504384","24.1021","0.0006","24.1021","0.0006","24.1021","0.0006","90","","90","","90","","14001.2","0.6","90","2","90","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C126 H87 Ag3 B F4 N3 O6 Se12 -","- C126 H87 Ag3 B F4 N3 O6 Se12 -","- C504 H348 Ag12 B4 F16 N12 O24 Se48 -","4","0.333333","","Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.","Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets","Crystal Growth & Design","2007","7","12","2542","","10.1021/cg070447k","","","0.71073","MoKα","","0.0525","0.0445","","","0.1539","0.1604","","","","","","1.215","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4505204","11.5301","0.0016","11.5301","0.0016","11.5301","0.0016","90","","90","","90","","1532.8","0.4","203","2","203","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C10 H24 Cl N3 -","- C10 H24 Cl N3 -","- C40 H96 Cl4 N12 -","4","0.333333","","Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin","Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides","Crystal Growth & Design","2005","5","5","1881","","10.1021/cg050172d","","","0.71073","MoKα","","0.0813","0.0658","","","0.1772","0.1983","","","","","","1.087","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4507945","21.6328","0.0009","21.6328","0.0009","21.6328","0.0009","90","","90","","90","","10123.7","0.7","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H72 B Cu3 N18 O45 W12 -","- C72 H60 B Cu3 N18 O40 W12 -","- C288 H240 B4 Cu12 N72 O160 W48 -","4","0.333333","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0565","0.0415","","","0.0795","0.0844","","","","","","0.953","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4509066","16.0939","0.0004","16.0939","0.0004","16.0939","0.0004","90","","90","","90","","4168.54","0.18","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C42 H27 Co2 N12 O -","- C42 H27 Co2 N12 O -","- C168 H108 Co8 N48 O4 -","4","0.333333","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.0674","0.0617","","","0.1629","0.1677","","","","","","1.012","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4514366","35.2177","0.0018","35.2177","0.0018","35.2177","0.0018","90","","90","","90","","43680","4","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C78 H94 Ag4 F9 N24 O22 S6 -","- C78 H82.995 Ag4 F9 N24 O21.99 S6 -","- C624 H663.96 Ag32 F72 N192 O175.92 S48 -","8","0.666667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2813","0.0994","","","0.1962","0.2277","","","","","","1.041","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514367","35.191","0.0008","35.191","0.0008","35.191","0.0008","90","","90","","90","","43580.8","1.7","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C150 H164 Ag8 F9 N53 O25 S12 -","- C149.88 H159.78 Ag8 F9 N52.98 O24.99 S12 -","- C599.52 H639.12 Ag32 F36 N211.92 O99.96 S48 -","4","0.333333","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2886","0.0984","","","0.2199","0.2477","","","","","","1.001","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"5910017","5.91","","5.91","","5.91","","90","","90","","90","","206.425","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Ullmannite","","- Ni S Sb -","- Ni4 S4 Sb4 -","- Ni4 S4 Sb4 -","","","","Wyckoff, R. W. G.","Page 238 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/","The second edition of Structure of Crystals","1931","","","238","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000086","10.3367","","10.3367","","10.3367","","90","","90","","90","","1104.45","","","","","","","","","","","","","4","P 21 3","","","","","","- Ce4 N6 O5 Si4 -","","","","","","Irran, E.; Kollisch, K.; Leoni, S.; Nesper, R.; Henry, P. F.; Weller, M. T.; Schnick, W.","Ce-4[Si4O4N6]O - a hyperbolically layered oxonitridosilicate oxide with an ordered distribution of oxygen and nitrogen","Chemistry - a European Journal","2000","6","","2714","2720","10.1002/1521-3765(20000804)6:15<2714::AID-CHEM2714>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000195","13.17158","0.00006","13.17158","0.00006","13.17158","0.00006","90","","90","","90","","2285.14","0.018","200","","200","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- C12 H36 Si5 -","- C18 H54 Si5 -","- C72 H216 Si20 -","4","0.333333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","1.14946","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188515","2020-10-21","18:00:00",""
"6000196","12.609","0.003","12.609","0.003","12.609","0.003","90","","90","","90","","2004.7","0.8","150","","150","","","","","","","","","3","P 21 3","P 2ac 2ab 3","","","","","- C13 H36 Si4 -","- C19 H54 Si4 -","- C76 H216 Si16 -","4","0.333333","SE0261","Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander","Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~","Acta Crystallographica Section B","1999","55","6","1014","1029","10.1107/S0108768199006126","","","0.82488","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188515","2020-10-21","18:00:00",""
"6000226","8.379","","8.379","","8.379","","90","","90","","90","","588.27","","","","","","","","","","","","","4","P 21 3","","","","","","- As Cl Hg3 O4 -","","","","","","Romanenko, G. V.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasiliev, V. I.","Crystal structure of kuznetsovite Hg-3(AsO4)Cl","Journal of Structural Chemistry","1999","40","","270","275","10.1007/BF02903656","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000768","12.301","","12.301","","12.301","","90","","90","","90","","1861.32","","","","","","","","","","","","","5","P 21 3","","","","","","- Cr H12 La N6 O24 -","","","","","","Gobichon, A. E.; Auffredic, J. P.; Louer, D.","A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O","Powder Diffraction","2000","15","","23","25","10.1017/S0885715600010782","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000247","14.9023","0.0002","14.9023","0.0002","14.9023","0.0002","90","","90","","90","","3309.48","0.08","150","2","150","2","","","","","","","synthesis as described","7","P 21 3","P 2ac 2ab 3","198","Chisholm 1609","","","- C30 H46 B I Mg N6 O3 -","- C30 H46 B I Mg N6 O3 -","- C120 H184 B4 I4 Mg4 N24 O12 -","4","0.333333","","Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah","Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate","Dalton Transactions","2009","","2","368","374","10.1039/b812228h","","x-ray","0.71073","MoKα","","0.056","0.0539","","","0.1308","0.1319","","","","","","1.162","","","","has coordinates,has disorder","179680","2020-10-21","18:00:00",""
"7000751","16.5114","0.0019","16.5114","0.0019","16.5114","0.0019","90","","90","","90","","4501.4","0.9","193","2","193","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C39 H60 N12 O Zn4 -","- C39 H60 N12 O Zn4 -","- C156 H240 N48 O4 Zn16 -","4","0.333333","","Cheng, Mei-Ling; Li, Hong-Xi; Liu, Lei-Lei; Wang, Hui-Hui; Zhang, Yong; Lang, Jian-Ping","Unique formation of mono-, tetra- and nona-nuclear zinc complexes from protonolysis reactions of [Zn(dmpzm)Et2]","Dalton Transactions","2009","","11","2012","2019","10.1039/b819637k","","","0.71073","MoKα","","0.0481","0.0449","","","0.0967","0.0986","","","","","","1.071","","","","has coordinates","209575","2020-10-21","18:00:00",""
"7000778","11.7046","0.0012","11.7046","0.0012","11.7046","0.0012","90","","90","","90","","1603.5","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","(Cu(C12H18)CO)(SbF6)","","","- C13 H18 Cu F6 O Sb -","- C13 H18 Cu F6 O Sb -","- C52 H72 Cu4 F24 O4 Sb4 -","4","0.333333","","Fianchini, Mauro; Cundari, Thomas R.; DeYonker, Nathan J.; Dias, H. V. Rasika","A non-classical copper carbonyl on a tri-alkene hydrocarbon support","Dalton Transactions","2009","","12","2085","2087","10.1039/b902678a","","","0.71073","MoKα","","0.0168","0.0168","","","0.0428","0.0428","","","","","","1.111","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7001756","17.604","0.0009","17.604","0.0009","17.604","0.0009","90","","90","","90","","5455.5","0.5","173","2","173","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C8 H52 As N6 Na O45 Sn3 W9 -","- C7 H24 As N3 O45.01 Sn3 W9 -","- C28 H96 As4 N12 O180.04 Sn12 W36 -","4","0.333333","","Piedra-Garza, Luis Fernando; Reinoso, Santiago; Dickman, Michael H.; Sanguineti, Michael M.; Kortz, Ulrich","The first 3-dimensional assemblies of organotin-functionalized polyanions","Dalton Transactions","2009","","31","6231","","10.1039/b908436c","","","0.71073","MoKα","","0.08","0.0468","","","0.1009","0.1163","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001757","17.5942","0.0003","17.5942","0.0003","17.5942","0.0003","90","","90","","90","","5446.39","0.16","173","2","173","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C8 H54 N6 Na O46 P Sn3 W9 -","- C7 H24 N3 O44 P Sn3 W9 -","- C28 H96 N12 O176 P4 Sn12 W36 -","4","0.333333","","Piedra-Garza, Luis Fernando; Reinoso, Santiago; Dickman, Michael H.; Sanguineti, Michael M.; Kortz, Ulrich","The first 3-dimensional assemblies of organotin-functionalized polyanions","Dalton Transactions","2009","","31","6231","","10.1039/b908436c","","","0.71073","MoKα","","0.0528","0.0403","","","0.0892","0.0944","","","","","","1.057","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001758","17.5199","0.0004","17.5199","0.0004","17.5199","0.0004","90","","90","","90","","5377.7","0.2","173","2","173","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C8 H56 N6 Na2 O47 Si Sn3 W9 -","- C7 H24 N3 O46 Si Sn3 W9 -","- C28 H96 N12 O184 Si4 Sn12 W36 -","4","0.333333","","Piedra-Garza, Luis Fernando; Reinoso, Santiago; Dickman, Michael H.; Sanguineti, Michael M.; Kortz, Ulrich","The first 3-dimensional assemblies of organotin-functionalized polyanions","Dalton Transactions","2009","","31","6231","","10.1039/b908436c","","","0.71073","MoKα","","0.0687","0.0518","","","0.1335","0.1466","","","","","","1.076","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7005374","9.2919","0.0004","9.2919","0.0004","9.2919","0.0004","90","","90","","90","","802.26","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 21 3","P 2ac 2ab 3","198","","","","- C7 H16 B N -","- C7 H16 B N -","- C28 H64 B4 N4 -","4","0.333333","","Wann, Derek A.; Blockhuys, Frank; Van Alsenoy, Christian; Robertson, Heather E.; Himmel, Hans-Jörg; Tang, Christina Y.; Cowley, Andrew R.; Downs, Anthony J.; Rankin, David W. H.","Molecular structures of free quinuclidine and its adducts with metal trihydrides, MH3 (M=B, Al or Ga), studied by gas-phase electron diffraction, X-ray diffraction and quantum chemical calculations.","Dalton transactions (Cambridge, England : 2003)","2007","","17","1687","1696","10.1039/b701476g","","","0.71073","MoKα","","0.0475","0.0333","","0.0471","0.0354","0.0354","","","","","","1.1445","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005825","13.5564","0.0005","13.5564","0.0005","13.5564","0.0005","90","","90","","90","","2491.34","0.16","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","04305-complex 19","","","- C18 H36 Cu F6 N4 P -","- C18 H36 Cu F5.99994 N4 P0.99999 -","- C72 H144 Cu4 F23.9998 N16 P3.99996 -","4","0.333333","","Brown, Eric C.; Johnson, Brandon; Palavicini, Sara; Kucera, Benjamin E.; Casella, Luigi; Tolman, William B.","Modular syntheses of multidentate ligands with variable N-donors: applications to tri- and tetracopper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","28","3035","3042","10.1039/B705806C","","","0.71073","MoKα","","0.0287","0.0256","","","0.0662","0.0686","","","","","","1.014","","","","has coordinates,has disorder","179762","2020-10-21","18:00:00",""
"7007091","18.206","0.001","18.206","0.001","18.206","0.001","90","","90","","90","","6034.5","0.6","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C60 H72 Cu3 N4 O12 -","- C60 H72 Cu3 N4 O12 -","- C240 H288 Cu12 N16 O48 -","4","0.333333","","Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","Extended three-dimensional supramolecular architectures derived from trinuclear (bis-beta-diketonato)copper(II) metallocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3114","3121","10.1039/b517274h","","","0.71073","MoKα","","0.104","0.0517","","","0.1246","0.1394","","","","","","0.9","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7009034","17.272","0.003","17.272","","17.272","","90","","90","","90","","5152.6","0.9","295.2","","295.2","","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C9 H14 B0.67 Cl2 I0.33 N4 O0.67 S2 Tl0.33 -","- C9 H12 B1.33333 Cl2 I0.333333 N4 O0.666667 S2 Tl0.333333 -","- C108 H144 B16 Cl24 I4 N48 O8 S24 Tl4 -","12","1","","Slavin, Paul A.; Reglinski, John; Spicer, Mark D.; Kennedy, Alan R.","Preparation and crystal structure of the [bis{hydrotris(methimazolyl)borato}thallium(III)] cation: modulated chemistry resulting from the use of soft and hard tripodal ligands","Journal of the Chemical Society, Dalton Transactions","2000","","3","239","","10.1039/a908236k","","","0.7107","MoKalpha","","0.085","0.0712","","0.0812","0.0748","","","","","2.514","2.514","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009739","17.443","0.002","17.443","0.002","17.443","0.002","90","","90","","90","","5307.2","1.1","153","2","153","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C36 H66 Cl6 N8 O27 -","- C36 H66 Cl6 N8 O27 -","- C144 H264 Cl24 N32 O108 -","4","0.333333","","Hynes, Michael J.; Maubert, Beatrice; McKee, Vickie; Town, Raewyn M.; Nelson, Jane","Protonated azacryptate hosts for nitrate and perchlorate","Journal of the Chemical Society, Dalton Transactions","2000","","16","2853","","10.1039/b003249m","","","0.71073","MoKα","","0.0795","0.0554","","","0.1196","0.1307","","","","","","1.026","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7010150","13.2859","0.0006","13.2859","0.0006","13.2859","0.0006","90","","90","","90","","2345.16","0.18","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C6.86 H20.57 B0.57 Co0.57 F2.29 P2.29 -","- C6.85714 H20.5714 B0.571429 Co0.571429 F2.28571 P2.28571 -","- C48 H144 B4 Co4 F16 P16 -","7","0.583333","","Lu, Norman; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Timms, Peter L.; Whittell, George R.","Transition metal complexes incorporating the BF2 ligand formed by oxidative addition of the B‒B bond in B2F4","Journal of the Chemical Society, Dalton Transactions","2000","","22","4032","","10.1039/b006535h","","","0.71073","MoKα","","0.0443","0.0311","","","0.0685","0.0728","","","","","","0.971","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7011745","12.989","0.003","12.989","0.003","12.989","0.003","90","","90","","90","","2191.4","0.9","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C9 H27 Br3 In N Sn3 -","- C9 H27 Br3 In N Sn3 -","- C36 H108 Br12 In4 N4 Sn12 -","4","0.333333","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.035","0.0275","","","0.0425","0.044","","","","","","0.959","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011746","12.9021","0.0012","12.9021","0.0012","12.9021","0.0012","90","","90","","90","","2147.7","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C9 H27 Cl3 In N Sn3 -","- C9 H27 Cl3 In N Sn3 -","- C36 H108 Cl12 In4 N4 Sn12 -","4","0.333333","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0227","0.0218","","","0.0503","0.0507","","","","","","1.094","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011750","12.9467","0.001","12.9467","0.001","12.9467","0.001","90","","90","","90","","2170.1","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C9 H27 Br3 Ga N Sn3 -","- C9 H27 Br3 Ga N Sn3 -","- C36 H108 Br12 Ga4 N4 Sn12 -","4","0.333333","","Q. m. Cheng; O. Stark; K. Merz; M. Winter; R. A. Fischer","Lewis base properties of tris(trimethylstannyl)amine: unusually short M‒N bonds of the adduct compounds [X3M·N(SnMe3)3] (X = Cl, Br; M = Al, Ga, In) and [Cl2(CH3)M·N(SnMe3)3] (M = Al, Ga)","J. Chem. Soc., Dalton Trans.","2002","","14","2933","2936","10.1039/b203489c","","","0.71073","MoKα","","0.0773","0.0763","","","0.1918","0.1921","","","","","","1.203","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012309","16.8111","0.0004","16.8111","0.0004","16.8111","0.0004","90","","90","","90","","4751","0.2","123","2","123","2","","","","","","","synthesis as described","8","P 21 3","P 2ac 2ab 3","198","[Ni(Tm)2]Br.4(CH2Cl2)","","","- C28 H40 B2 Br Cl8 N12 Ni S6 -","- C27.99 H38 B2 Br Cl7.99 N12 Ni S6 -","- C111.96 H152 B8 Br4 Cl31.96 N48 Ni4 S24 -","4","0.333333","","Garner, Mark; Lewinski, Krzysztof; Pattek-Janczyk, Agnieszka; Reglinski, John; Sieklucka, Barbara; Spicer, Mark D.; Szaleniec, Maciej","Structural and spectroscopic characterisation of bis-ligand complexes of iron(ii), nickel(ii) and nickel(iii) with the hydrotris(methimazolyl)borate anion: soft S6 donor sets generating a weak ligand field","Dalton Transactions","2003","","6","1181","","10.1039/b209877f","","x-ray","0.71073","MoKα","","0.0709","0.0668","","","0.1588","0.1608","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013975","21.603","0.002","21.603","0.002","21.603","0.002","90","","90","","90","","10081.9","1.6","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C33 H37 Au B N6 P -","- C33 H37 Au B N6 P -","- C396 H444 Au12 B12 N72 P12 -","12","1","","Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.","Dalton transactions (Cambridge, England : 2003)","2004","","6","951","958","10.1039/b316815h","","","0.71073","MoKα","","0.096","0.047","","0.023","","0.02","","","1.54","","","1.261","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014720","18.3957","0.0004","18.3957","0.0004","18.3957","0.0004","90","","90","","90","","6225.1","0.2","220","2","220","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Manganese perchlorate complex","Manganese perchlorate complex","","- C42 H66.82 Cl4 Mn2 N20 O19.41 -","- C42 H60 Cl4 Mn2 N20 O19.412 -","- C168 H240 Cl16 Mn8 N80 O77.648 -","4","0.333333","","Brewer, Cynthia T.; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Schmiedekamp, Ann M.; Schmiedekamp, Carl; Straka, Alison; Viragh, Carol; Yuzefpolskiy, Yevgeniy; Zavalij, Peter","Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","1","181","194","10.1039/c0dt01098g","","","0.71073","MoKα","","0.0567","0.0409","","","0.0809","0.0885","","","","","","1","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7015870","11.8548","0.0001","11.8548","0.0001","11.8548","0.0001","90","","90","","90","","1666.03","0.02","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Cl2 Cu N4 -","- C12 H30 Cl2 Cu N4 -","- C48 H120 Cl8 Cu4 N16 -","4","0.333333","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0221","0.0208","","","0.0553","0.0557","","","","","","1.155","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015871","12.0512","0.0003","12.0512","0.0003","12.0512","0.0003","90","","90","","90","","1750.21","0.08","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Cu N4 -","- C12 H30 Br2 Cu N4 -","- C48 H120 Br8 Cu4 N16 -","4","0.333333","","Eckenhoff, William T.; Pintauer, Tomislav","Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4909","4917","10.1039/c1dt10189g","","","0.71073","MoKα","","0.0227","0.0185","","","0.0433","0.0443","","","","","","1.073","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015943","14.927","0.005","14.927","0.005","14.927","0.005","90","","90","","90","","3326","1.9","120","2","120","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C24 H55 B2 Cu3 F4 N3 O18 -","- C24 H51 B2 Cu3 F4 N3 O18 -","- C96 H204 B8 Cu12 F16 N12 O72 -","4","0.333333","","Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.","New diamondoid-like [Cu(3)B(μ-O)(6)] core self-assembled from Bis-Tris biobuffer for mild hydrocarboxylation of alkanes to carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6378","6381","10.1039/c1dt10421g","","","0.71069","MoKα","","0.0455","0.0389","","","0.1078","0.1123","","","","","","1.077","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016493","12.4712","0.0003","12.4712","0.0003","12.4712","0.0003","90","","90","","90","","1939.66","0.08","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C14 H3 Fe4 K O12 -","- C14 H2.97 Fe4 K O12 -","- C56 H11.88 Fe16 K4 O48 -","4","0.333333","","Femoni, C.; Iapalucci, M. C.; Longoni, G.; Zacchini, S.","The chemistry of hydridocarbonylferrates revisited: syntheses and structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-) anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2) adduct containing an unprecedented isocarbonyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8685","8694","10.1039/c1dt10648a","","","0.71073","MoKα","","0.0366","0.027","","","0.0474","0.0504","","","","","","1.053","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7019407","22.8525","0.0016","22.8525","0.0016","22.8525","0.0016","90","","90","","90","","11934.4","1.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105.5 H117 Cl6 Fe3 K3 N15.5 O13 -","- C100.13 H107 Cl6 Fe3 K3 N15.48 O12 -","- C400.52 H428 Cl24 Fe12 K12 N61.92 O48 -","4","0.333333","","Guillet, Gary L.; Sloane, Forrest T.; Dumont, Matthieu F.; Abboud, Khalil A.; Murray, Leslie J.","Synthesis and characterization of a tris(2-hydroxyphenyl)methane-based cryptand and its triiron(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7866","7869","10.1039/c2dt30312d","","","0.71073","MoKα","","0.0794","0.0597","","","0.1588","0.1684","","","","","","1.078","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019572","14.0563","0.0004","14.0563","0.0004","14.0563","0.0004","90","","90","","90","","2777.24","0.14","100","2","100","2","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","2c","","","- C19 H19 Ag Al Cl3 F6 N3 O6 P -","- C19 H19 Ag Al Cl3 F6 N3 O6 P -","- C76 H76 Ag4 Al4 Cl12 F24 N12 O24 P4 -","4","0.333333","","Merkens, Carina; Becker, Nils; Lamberts, Kevin; Englert, Ulli","Bimetallic coordination networks based on Al(acacCN)(3): a building block between inertness and lability.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8594","8599","10.1039/c2dt30623a","","","0.71073","MoKα","","0.0322","0.0304","","","0.0757","0.0769","","","","","","1.063","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7023657","20.5043","0.0004","20.5043","0.0004","20.5043","0.0004","90","","90","","90","","8620.5","0.3","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C72 H69 Cl2.67 Cu Fe I N15 O13.68 -","- C72 H69 Cl2.66 Cu Fe I0.99 N15 O13.64 -","- C288 H276 Cl10.64 Cu4 Fe4 I3.96 N60 O54.56 -","4","0.333333","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","1.54184","CuKα","","0.1125","0.0876","","","0.2093","0.2242","","","","","","1.369","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023658","18.4606","0.0002","18.4606","0.0002","18.4606","0.0002","90","","90","","90","","6291.26","0.12","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C61.5 H63 Cl2 Fe N9 O12.5 -","- C61.5 H57 Cl2 Fe N9 O12.5 -","- C246 H228 Cl8 Fe4 N36 O50 -","4","0.333333","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","0.71073","MoKα","","0.1241","0.0797","","","0.1869","0.209","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024770","18.8231","0.0012","18.8231","0.0012","18.8231","0.0012","90","","90","","90","","6669.2","0.7","293","2","293","2","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C60 H84 Au B F10 Mo3 O3 P2 S4 -","- C60 H84 Au B F10 Mo3 O3 P2 S4 -","- C240 H336 Au4 B4 F40 Mo12 O12 P8 S16 -","4","0.333333","","Chen, Pingping; Chen, Yanhui; Zhou, Yuhan; Peng, Ying; Qu, Jingping; Hidai, Masanobu","Heterometallic cubane-type clusters [M'Mo3S4] (M' = Au, Ag and Cu): synthesis, structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5658","5663","10.1039/b921176d","","","0.71073","MoKα","","0.0618","0.0472","","","0.115","0.1198","","","","","","1.072","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7025281","23.0065","0.0002","23.0065","0.0002","23.0065","0.0002","90","","90","","90","","12177.3","0.18","150","2","150","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C61 H45 Ag B3 F12 N13 Ni O2 -","- C60.99 H44.97 Ag B2 F8 N12.99 Ni O1.98 -","- C487.92 H359.76 Ag8 B16 F64 N103.92 Ni8 O15.84 -","8","0.666667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Hierarchical self-assembly of heteronuclear co-ordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3805","3815","10.1039/b926264d","","","0.71073","MoKα","","0.129","0.1145","","","0.3214","0.333","","","","","","1.339","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025282","23.0538","0.001","23.0538","0.001","23.0538","0.001","90","","90","","90","","12252.6","0.9","150","2","150","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H42 Ag B3 Co F12 N12 -","- C60 H42 Ag B1.5 Co F6 N12 -","- C480 H336 Ag8 B12 Co8 F48 N96 -","8","0.666667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Hierarchical self-assembly of heteronuclear co-ordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3805","3815","10.1039/b926264d","","","0.71073","MoKα","","0.1335","0.1259","","","0.3498","0.357","","","","","","1.56","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7026942","15.2741","0.0008","15.2741","0.0008","15.2741","0.0008","90","","90","","90","","3563.4","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","8.2","","","- C32 H27 Cu F15 N4 P -","- C32 H26.97 Cu F14.96 N4 P -","- C128 H107.88 Cu4 F59.84 N16 P4 -","4","0.333333","","Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F.","Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10910","10919","10.1039/c0dt00986e","","","0.71073","MoKα","","0.036","0.0314","","","0.0793","0.0819","","","","","","1.066","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7032269","18.316","0.002","18.316","0.002","18.316","0.002","90","","90","","90","","6144.6","1.2","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H54 N6 Na O21 V6 -","- C24 H54 N6 Na O21.003 V6 -","- C96 H216 N24 Na4 O84.012 V24 -","4","0.333333","","Khan, M. Ishaque; Zheng, Y.; Li, H.; Swenson, L.; Basha, A.; Doedens, R. J.","Organo-functionalized metal-oxide clusters: synthesis and characterization of the reduced cationic species [NaV(IV)6O6{(OCH2CH2)2NH}6](+).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16509","16514","10.1039/c4dt02174f","","","0.71073","MoKα","","0.0484","0.0439","","","0.138","0.1408","","","","","","1.125","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7032917","18.737","0.002","18.737","0.002","18.737","0.002","90","","90","","90","","6578.1","1.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C42 H30 Co4 N13 O4 S6 -","- C42 H30 Co4 N13 O4 S6 -","- C168 H120 Co16 N52 O16 S24 -","4","0.333333","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.0617","0.0562","","","0.1318","0.1345","","","","","","1.183","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033847","24.4452","0.0004","24.4452","0.0004","24.4452","0.0004","90","","90","","90","","14607.7","0.4","173.15","","173.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C106 H177 Ca2 Mn9 N6 O44 -","- C106 H177 Ca2 Mn9 N6 O43.9996 -","- C424 H708 Ca8 Mn36 N24 O175.998 -","4","0.333333","","Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan","Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4431","4435","10.1039/c4dt03459g","","","0.71073","MoKα","","0.1187","0.0892","","","0.2094","0.2423","","","","","","1.118","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7034014","10.8783","0.0006","10.8783","0.0006","10.8783","0.0006","90","","90","","90","","1287.31","0.12","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Cs2Mg2O12W3","","","- Cs2 Mg2 O12 W3 -","- Cs2 Mg2 O12 W3 -","- Cs8 Mg8 O48 W12 -","4","0.333333","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.0147","0.0141","","","0.0299","0.0302","","","","","","0.907","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034015","10.7656","0.0006","10.7656","0.0006","10.7656","0.0006","90","","90","","90","","1247.71","0.12","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Mg2O12Rb2W3","","","- Mg2 O12 Rb2 W3 -","- Mg2 O12 Rb2 W3 -","- Mg8 O48 Rb8 W12 -","4","0.333333","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.018","0.0172","","","0.0386","0.0389","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7036040","14.759","0.002","14.759","0.002","14.759","0.002","90","","90","","90","","3214.9","0.8","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cd Cl5 N3 -","- C30 H36 Cd Cl5 N3 -","- C120 H144 Cd4 Cl20 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0203","0.0194","","","0.0507","0.0513","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036041","14.6693","0.0004","14.6693","0.0004","14.6693","0.0004","90","","90","","90","","3156.66","0.15","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 N3 Zn -","- C30 H36 Cl5 N3 Zn -","- C120 H144 Cl20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0279","0.0255","","","0.0631","0.0644","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036042","14.7135","0.0006","14.7135","0.0006","14.7135","0.0006","90","","90","","90","","3185.3","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 Mn N3 O0 -","- C30 H36 Cl5 Mn N3 -","- C120 H144 Cl20 Mn4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0276","0.0262","","","0.0674","0.0683","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036043","14.654","0.0012","14.654","0.0012","14.654","0.0012","90","","90","","90","","3146.8","0.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 Co N3 O0 -","- C30 H36 Cl5 Co N3 -","- C120 H144 Cl20 Co4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0292","0.0264","","","0.0642","0.066","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036044","14.9853","0.0018","14.9853","0.0018","14.9853","0.0018","90","","90","","90","","3365.1","0.7","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Br5 N3 O0 Zn -","- C30 H36 Br5 N3 Zn -","- C120 H144 Br20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0442","0.0309","","","0.0606","0.0646","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036045","15.1987","0.0019","15.1987","0.0019","15.1987","0.0019","90","","90","","90","","3510.9","0.8","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C33 H42 Cd Cl5 N3 O0 -","- C33 H42 Cd Cl5 N3 -","- C132 H168 Cd4 Cl20 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.025","0.0234","","","0.0537","0.0546","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036046","15.1477","0.0008","15.1477","0.0008","15.1477","0.0008","90","","90","","90","","3475.7","0.3","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H36 Cl5 Co N3 -","- C33 H36 Cl5 Co N3 -","- C132 H144 Cl20 Co4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0357","0.031","","","0.0814","0.0844","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036047","15.208","0.003","15.208","0.003","15.208","0.003","90","","90","","90","","3517.4","1.2","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H39 Cl5 Hg N3 -","- C33 H39 Cl5 Hg N3 -","- C132 H156 Cl20 Hg4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0364","0.0323","","","0.0759","0.0773","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036048","15.155","0.004","15.155","0.004","15.155","0.004","90","","90","","90","","3480.7","1.6","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H42 Cl5 N3 Zn -","- C33 H42 Cl5 N3 Zn -","- C132 H168 Cl20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0298","0.026","","","0.0615","0.0631","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037272","9.7193","0.0003","9.7193","0.0003","9.7193","0.0003","90","","90","","90","","918.13","0.05","100","","100","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 Se3 -","- Bi K3 Se3 -","- Bi4 K12 Se12 -","4","0.333333","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0293","0.0231","","","0.039","0.0403","","","","","","0.925","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7038726","12.7246","0.0003","12.7246","0.0003","12.7246","0.0003","90","","90","","90","","2060.31","0.08","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Cs2 Li3 O24 P6 Pb2 -","- B3 Cs2 Li3 O24 P6 Pb2 -","- B12 Cs8 Li12 O96 P24 Pb8 -","4","0.333333","","Zhang, Li-Jun; Li, Yan-Yan; Liu, Peng-Fei; Chen, Ling","Li3Cs2M2B3P6O24 (M = Pb, Sr): borophosphates with double six-membered ring of [BP2O8](3.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7124","7130","10.1039/c6dt00498a","","","0.71073","MoKα","","0.0178","0.0173","","","0.0286","0.0288","","","","","","0.964","","","","has coordinates","182714","2020-10-21","18:00:00",""
"7038727","12.6874","0.0013","12.6874","0.0013","12.6874","0.0013","90","","90","","90","","2042.3","0.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B3 Cs2 Li3 O24 P6 Sr2 -","- B3 Cs2 Li3 O24 P6 Sr2 -","- B12 Cs8 Li12 O96 P24 Sr8 -","4","0.333333","","Zhang, Li-Jun; Li, Yan-Yan; Liu, Peng-Fei; Chen, Ling","Li3Cs2M2B3P6O24 (M = Pb, Sr): borophosphates with double six-membered ring of [BP2O8](3.).","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7124","7130","10.1039/c6dt00498a","","","0.71073","MoKα","","0.0181","0.0173","","","0.034","0.0342","","","","","","1.042","","","","has coordinates","182714","2020-10-21","18:00:00",""
"7038749","17.4496","0.0004","17.4496","0.0004","17.4496","0.0004","90","","90","","90","","5313.2","0.2","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H69 Cl2 Fe N9 O8 -","- C51 H69 Cl2 Fe N9 O8 -","- C204 H276 Cl8 Fe4 N36 O32 -","4","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0868","0.0534","","","0.1377","0.1685","","","","","","1.07","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7038750","17.467","0.002","17.467","0.002","17.467","0.002","90","","90","","90","","5329.1","1.1","173","2","173","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H69 Cl2 Fe N9 O8 -","- C51 H69 Cl2 Fe N9 O8 -","- C204 H276 Cl8 Fe4 N36 O32 -","4","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.062","0.0559","","","0.1525","0.1633","","","","","","0.82","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7038996","19.0728","0.0002","19.0728","0.0002","19.0728","0.0002","90","","90","","90","","6938.14","0.13","200","0.1","200","0.1","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C51 H60 B Cl3 F4 Mo3 N3 P3 S4 -","- C51 H60 B Cl3 F4 Mo3 N3 P3 S4 -","- C204 H240 B4 Cl12 F16 Mo12 N12 P12 S16 -","4","0.333333","","Alfonso, Carmina; Feliz, Marta; Safont, Vicent S.; Llusar, Rosa","C3-symmetry Mo3S4 aminophosphino clusters combining three sources of stereogenicity: stereocontrol directed by hydrogen bond interactions and ligand configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7829","7835","10.1039/c6dt00755d","","","0.71073","MoKα","","0.0484","0.0425","","","0.1469","0.1535","","","","","","1.158","","","","has coordinates","182672","2020-10-21","18:00:00",""
"7038997","19.5506","0.0003","19.5506","0.0003","19.5506","0.0003","90","","90","","90","","7472.7","0.2","200","0.14","200","0.14","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C72 H84 B Cl3 F4 Mo3 N3 P3 S4 -","- C72 H84 B Cl3 F4 Mo3 N3 P3 S4 -","- C288 H336 B4 Cl12 F16 Mo12 N12 P12 S16 -","4","0.333333","","Alfonso, Carmina; Feliz, Marta; Safont, Vicent S.; Llusar, Rosa","C3-symmetry Mo3S4 aminophosphino clusters combining three sources of stereogenicity: stereocontrol directed by hydrogen bond interactions and ligand configuration.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7829","7835","10.1039/c6dt00755d","","","0.71073","MoKα","","0.0694","0.0448","","","0.0993","0.1184","","","","","","1.164","","","","has coordinates","182672","2020-10-21","18:00:00",""
"7039257","13.3936","0.0015","13.3936","0.0015","13.3936","0.0015","90","","90","","90","","2402.7","0.5","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H18 N3 O4 P -","- C27 H18 N3 O4 P -","- C108 H72 N12 O16 P4 -","4","0.333333","","Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan","Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9187","9192","10.1039/c6dt00941g","","","0.71073","MoKα","","0.0641","0.049","","","0.1293","0.1424","","","","","","0.854","","","","has coordinates","185299","2020-10-21","18:00:00",""
"7042164","18.0504","0.0009","18.0504","0.0009","18.0504","0.0009","90","","90","","90","","5881.1","0.5","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C216 H300 Cl8 Fe4 N36 O32 -","- C216 H300 Cl8 Fe4 N36 O26.668 -","- C216 H300 Cl8 Fe4 N36 O26.668 -","1","0.0833333","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1573","0.1006","","","0.2464","0.2918","","","","","","0.98","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042165","18.456","0.0005","18.456","0.0005","18.456","0.0005","90","","90","","90","","6286.6","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H81 Cl2 Fe N9 O8 -","- C57 H81 Cl2 Fe0.33 N9 O7.92 -","- C228 H324 Cl8 Fe1.32 N36 O31.68 -","4","0.333333","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1635","0.0853","","","0.197","0.2369","","","","","","1.198","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042398","7.43","0.006","7.43","0.006","7.43","0.006","90","","90","","90","","410.2","0.6","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- B Ca O3 Rb -","- B Ca O3 Rb -","- B4 Ca4 O12 Rb4 -","4","0.333333","","Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4968","4974","10.1039/c7dt00251c","","","0.71073","MoKα","","0.0355","0.0275","","","0.0479","0.0498","","","","","","1.002","","","","has coordinates","196464","2020-10-21","18:00:00",""
"7042399","7.572","0.003","7.572","0.003","7.572","0.003","90","","90","","90","","434.1","0.3","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- B Ca Cs O3 -","- B Ca Cs O3 -","- B4 Ca4 Cs4 O12 -","4","0.333333","","Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4968","4974","10.1039/c7dt00251c","","","0.71073","MoKα","","0.0308","0.0253","","","0.0438","0.0457","","","","","","0.9","","","","has coordinates","196464","2020-10-21","18:00:00",""
"7042586","17.9181","0.0007","17.9181","0.0007","17.9181","0.0007","90","","90","","90","","5752.8","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C57 H43 Br Co Cu3 O18 P2 -","- C9 H3 Br Co Cu3 O18 -","- C36 H12 Br4 Co4 Cu12 O72 -","4","0.333333","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0566","0.045","","","0.1155","0.1229","","","","","","1.065","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7043133","17.0031","0.0002","17.0031","0.0002","17.0031","0.0002","90","","90","","90","","4915.69","0.1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H63 B2 F8 Fe N9 -","- C48 H63 B2 F8 Fe N9 -","- C192 H252 B8 F32 Fe4 N36 -","4","0.333333","","Han, Wang-Kang; Qin, Long-Fang; Pang, Chun-Yan; Cheng, Cai-Kun; Zhu, Wei; Li, Zhi-Hua; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Polymorphism of chiral iron(II) complex: spin-crossover and ferroelectric properties","Dalton Trans.","2017","","","","","10.1039/C7DT01634D","","","0.71073","MoKα","","0.0261","0.0241","","","0.053","0.0535","","","","","","1.017","","","","has coordinates","197013","2020-10-21","18:00:00",""
"7045293","12.39075","0.00004","12.39075","0.00004","12.39075","0.00004","90","","90","","90","","1902.36","0.011","295","","295","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","cesium tris(iso-butyrato-O,O')-dioxo-uranium(vi)","cesium tris(2-methylpropanoato-O,O')-dioxo-uranium(vi)","","- C12 H21 Cs O8 U -","- C12 H21 Cs0.999 O7.998 U0.999 -","- C48 H84 Cs3.996 O31.992 U3.996 -","4","0.333333","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0112","3.482","","","","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7045294","12.6458","0.0012","12.6458","0.0012","12.6458","0.0012","90","","90","","90","","2022.3","0.3","120","","120","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C15 H31 N O8 U -","- C15 H31 N O8 U -","- C60 H124 N4 O32 U4 -","4","0.333333","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","","","0.71073","MoKα","","0.1086","0.0773","","","0.1454","0.1657","","","","","","1.02","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7051345","10.875","0.0013","10.875","0.0013","10.875","0.0013","90","","90","","90","","1286.1","0.3","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C6 H21 Cl3 N4 -","- C6 H21 Cl3 N4 -","- C24 H84 Cl12 N16 -","4","0.333333","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7052981","23.7722","0.0009","23.7722","0.0009","23.7722","0.0009","90","","90","","90","","13434.1","0.9","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C133 H169 N18 O22.5 Yb -","- C112 H112 N18 O15 Yb -","- C448 H448 N72 O60 Yb4 -","4","0.333333","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0734","0.058","","","0.1645","0.1801","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054030","16.3228","0.0018","16.3228","0.0018","16.3228","0.0018","90","","90","","90","","4348.9","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 I4 N2 O12 Zn4 -","- C24 H56 I4 N2 O12.3 Zn4 -","- C96 H224 I16 N8 O49.2 Zn16 -","4","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0343","0.0316","","","0.0709","0.0718","","","","","","1.072","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7057035","14.325","0.006","14.325","0.006","14.325","0.006","90","","90","","90","","2940","2","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H32 O20 Zn4 -","- C24 H31.9998 O20 Zn4 -","- C48 H63.9996 O40 Zn8 -","2","0.166667","","Ma, Yujie; Xu, Guanhong; Wei, Fangdi; Cen, Yao; Song, Yueyue; Shi, Menglan; Xu, Xiaoman; Sohail, Muhammad; Hu, Qin","Fluorescent zinc(ii)-based metal‒organic frameworks for nitroaromatics sensing","New Journal of Chemistry","2018","42","7","5162","","10.1039/C7NJ04966H","","","0.71073","MoKα","","0.0886","0.0714","","","0.2022","0.2235","","","","","","1.057","","","","has coordinates","230429","2020-10-21","18:00:00",""
"7100018","18.999","0.001","18.999","0.001","18.999","0.001","90","","90","","90","","6858.1","0.6","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C63 H69 F12 N15 O3 P2 Ru -","- C63 H69 F12 N15 O3 P2 Ru -","- C252 H276 F48 N60 O12 P8 Ru4 -","4","0.333333","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100765","29.86","0.02","29.86","0.02","29.86","0.02","90","","90","","90","","26615","32","93","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C110 H182 Ag6 Ca4 F42 N24 O73 S26 -","- C110 H168 Ag6 Ca4 F42 N24 O73 S26 -","- C440 H672 Ag24 Ca16 F168 N96 O292 S104 -","4","0.333333","","Mitsuhiko Shionoya; Tomoko Okada; Motoo Shiro; K. Tanaka","Heterogeneous Assembly of Silver(I) and Calcium(II) Ions Accompanying a Dimer Formation of cyclo(L-Ala-L-Met)3","Chemical Communications","2005","","","","","10.1039/b415567j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7100889","15.072","0.002","15.072","0.002","15.072","0.002","90","","90","","90","","3423.8","0.8","150","2","150","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C24 H40 B Ca I N6 O3 -","- C24 H40 B Ca I N6 O3 -","- C96 H160 B4 Ca4 I4 N24 O12 -","4","0.333333","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7102122","16.6032","0.0007","16.6032","0.0007","16.6032","0.0007","90","","90","","90","","4576.9","0.3","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C39 H51 Br Cl8 Fe2 N6 -","- C39 H51 Br Cl8 Fe2 N6 -","- C156 H204 Br4 Cl32 Fe8 N24 -","4","0.333333","","Willans, Charlotte E; Anderson, Kirsty M; Junk, Peter C; Barbour, Leonard J; Steed, Jonathan W","A small tris(imidazolium) cage forms an N-heterocyclic carbene complex with silver(I).","Chemical communications (Cambridge, England)","2007","","35","3634","3636","10.1039/b708692j","","","0.71073","MoKα","","0.1057","0.0467","","","0.091","0.1027","","","","","","0.896","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102406","27.6415","0.0017","27.6415","0.0017","27.6415","0.0017","90","","90","","90","","21120","2","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C57 H77 Fe4 N15 O37 -","- C57 H57 Fe4 N15 O37.01 -","- C456 H456 Fe32 N120 O296.08 -","8","0.666667","","Bai, Yan; Guo, Dong; Duan, Chun-Ying; Dang, Dong-Bin; Pang, Ke-Liang; Meng, Qing-Jin","A three dimensional porous metal-organic framework [Fe4L6.(DMF)3.(H2O)10] constructed from neutral discrete Fe4L6 pyramids [H2L = 1,3-benzodihydroxamix acid].","Chemical communications (Cambridge, England)","2004","","2","186","187","10.1039/b306264c","","","0.71073","MoKα","","0.2415","0.077","","","0.1785","0.2086","","","","","","0.983","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102657","7.5913","0.0009","7.5913","0.0009","7.5913","0.0009","90","","90","","90","","437.47","0.09","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B2 F2 H8 N2 O8 P2 -","- B2 F2 H8 N2 O8 P2 -","- B4 F4 H16 N4 O16 P4 -","2","0.166667","","Li, Man-Rong; Liu, Wei; Ge, Ming-Hui; Chen, Hao-Hong; Yang, Xin-Xin; Zhao, Jing-Tai","NH4[BPO4F]: a novel open-framework ammonium fluorinated borophosphate with a zeolite-like structure related to gismondine topology.","Chemical communications (Cambridge, England)","2004","","11","1272","1273","10.1039/b402966f","","","0.71073","MoKα","","0.0539","0.0343","","","0.0644","0.0656","","","","","","0.854","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104188","15.4168","0.0006","15.4168","0.0006","15.4168","0.0006","90","","90","","90","","3664.4","0.2","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H36 Cl4 P2 Zn -","- C38 H35.94 Cl4 P2 Zn -","- C152 H143.76 Cl16 P8 Zn4 -","4","0.333333","","Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","Facile dichloromethane activation and phosphine methylation. Isolation of unprecedented zwitterionic organozinc and organocobalt intermediates.","Chemical communications (Cambridge, England)","2009","34","8","890","892","10.1039/b817728g","","x-ray","0.71073","MoKα","","0.0808","0.0456","","","0.0815","0.0924","","","","","","1.013","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7108197","17.789","0.0009","17.789","0.0009","17.789","0.0009","90","","90","","90","","5629.3","0.5","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H78 Br6 N8 O12 S3 -","- C30 H78 Br6 N8 O12 S3 -","- C120 H312 Br24 N32 O48 S12 -","4","0.333333","","Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed Ataul Haque; Douglas R. Powell; Dillip Kumar Chand; Md. Alamgir Hossain","Self-assembly of ordered water tetramers in an encapsulated [Br(H2O)12]^-^ complex","Chem.Commun.","2012","48","","8631","","10.1039/c2cc30767g","","","0.71073","MoKα","","0.1269","0.1191","","","0.346","0.351","","","","","","1.244","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111423","14.0195","0.0003","14.0195","0.0003","14.0195","0.0003","90","","90","","90","","2755.48","0.1","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C27 H45 N7 Ni -","- C27 H45 N7 Ni -","- C108 H180 N28 Ni4 -","4","0.333333","","Hu, Xile; Castro-Rodriguez, Ingrid; Meyer, Karsten","Synthesis and characterization of electron-rich nickel tris-carbene complexes","Chemical Communications","2004","","19","2164","2165","10.1039/b409241d","","","0.71073","MoKα","","0.0229","0.0225","","","0.0555","0.0557","","","","","","1.113","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111927","14.2941","0.0008","14.2941","0.0008","14.2941","0.0008","90","","90","","90","","2920.6","0.3","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C36 H48 N6 O17 Zn4 -","- C36 H48 N6 O17 Zn4 -","- C72 H96 N12 O34 Zn8 -","2","0.166667","","Xianqiang Huang; Yifa Chen; Zhengguo Lin; Xiaoqian Ren; Yuna Song; Zhenzhu Xu; Xinmei Dong; Xingguo Li; Changwen Hu; Bo Wang","Zn-BTC MOFs with active metal sites synthesized via a structure-directing approach for highly efficient carbon conversion","Chem.Commun.","2014","50","","2624","","10.1039/c3cc49187k","","","0.71073","MoKα","","0.0951","0.0881","","","0.2344","0.2523","","","","","","1.17","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7114049","30.564","0.005","30.564","0.005","30.564","0.005","90","","90","","90","","28552","8","153","2","153","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C326 H270 Ag6 N6 O18 P12 -","- C326 H269.97 Ag6 N6 O18 P12 -","- C1304 H1079.88 Ag24 N24 O72 P48 -","4","0.333333","","Miller, Philip W.; Nieuwenhuyzen, Mark; Xu, Xingling; James, Stuart L.","Assembly of a coordination cage with four aromatic channel receptors on the outside","Chemical Communications","2002","","18","2008","","10.1039/b204260f","","","0.71073","MoKα","","0.2734","0.1159","","","0.2738","0.3419","","","","","","0.961","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114050","30.7586","0.001","30.7586","0.001","30.7586","0.001","90","","90","","90","","29100.4","1.6","153","2","153","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C309 H269 Ag6 Cl3 N6 O26 P12 -","- C308.99 H252.96 Ag6 Cl2.97 N6 O25.99 P12 -","- C1235.96 H1011.84 Ag24 Cl11.88 N24 O103.96 P48 -","4","0.333333","","Miller, Philip W.; Nieuwenhuyzen, Mark; Xu, Xingling; James, Stuart L.","Assembly of a coordination cage with four aromatic channel receptors on the outside","Chemical Communications","2002","","18","2008","","10.1039/b204260f","","","0.71073","MoKα","","0.187","0.1141","","","0.2861","0.3296","","","","","","1.37","","","","has coordinates,has disorder","180254","2020-10-21","18:00:00",""
"7115115","16.964","0.002","16.964","0.002","16.964","0.002","90","","90","","90","","4881.9","1","180","2","180","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Compound X","","","- C44 H59 Li3 N12 O3 Zn3 -","- C43.96 H58.92 Li3 N12 O2.99 Zn3 -","- C175.84 H235.68 Li12 N48 O11.96 Zn12 -","4","0.333333","","Davies, Robert P.; Linton, David J.; Snaith, Ronald; Wheatley, Andrew E. H.","Selective oxygen capture in lithium zincate chemistry: the syntheses and solid-state structures of (μ-O)Zn4[N(2-C5H4N)Bz]6 and But(μ3-O)Li3(μ6-O)Zn3[N(2-C5H4N)Me]6 (Bz = benzyl)","Chemical Communications","2000","","18","1819","","10.1039/b005238h","","","0.71069","MoKα","","0.0827","0.0744","","","0.2093","0.2168","","","","","","1.19","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00",""
"7117810","17.4611","0.0002","17.4611","0.0002","17.4611","0.0002","90","","90","","90","","5323.72","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 Co6 N13 O12 -","- C24 H14.97 Co6 N13 O12 -","- C96 H59.88 Co24 N52 O48 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.071","0.0557","","","0.1594","0.1716","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117811","17.4882","0.0002","17.4882","0.0002","17.4882","0.0002","90","","90","","90","","5348.54","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 Co6 N13 O12 -","- C24 H14.97 Co6 N13 O12 -","- C96 H59.88 Co24 N52 O48 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.0393","0.0378","","","0.1065","0.1075","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117812","17.5279","0.0008","17.5279","0.0008","17.5279","0.0008","90","","90","","90","","5385","0.4","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H14 Co6 N12 O13 -","- C24 H13.98 Co6 N12 O13 -","- C96 H55.92 Co24 N48 O52 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.0401","0.0372","","","0.0977","0.0991","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117825","17.538","0.003","17.538","0.003","17.538","0.003","90","","90","","90","","5394.4","1.6","120","2","120","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","tris(dimethylhydroxysilylmethyl)triethylbenzene","","","- C21 H42 O3 Si3 -","- C21 H42 O3 Si3 -","- C168 H336 O24 Si24 -","8","0.666667","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.0534","0.0513","","","0.1203","0.1219","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7121009","34.773","0.004","34.773","0.004","34.773","0.004","90","","90","","90","","42046","8","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C76.96 H55.54 Cu8 O49 -","- C76.96 H55.54 Cu8 O49 -","- C923.52 H666.48 Cu96 O588 -","12","1","","Lal, Garima; Lee, Shiron J.; Spasyuk, Denis M.; Shimizu, George K. H.","Amphiphile-like self assembly of metal organic polyhedra having both polar and non-polar groups.","Chemical communications (Cambridge, England)","2018","54","14","1722","1725","10.1039/c7cc09413b","","","0.68881","synchrotron","","0.1622","0.103","","","0.2345","0.2599","","","","","","1.156","","","","has coordinates,has disorder","228391","2020-10-21","18:00:00",""
"7121517","14.9671","0.001","14.9671","0.001","14.9671","0.001","90","","90","","90","","3352.8","0.4","100","2","100.1","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C25 H57 Eu I2 N8 O -","- C24.9999 H56.9997 Eu I2 N8 O -","- C99.9996 H227.999 Eu4 I8 N32 O4 -","4","0.333333","","Jenks, Tyler C.; Bailey, Matthew D.; Corbin, Brooke A.; Kuda-Wedagedara, Akhila N W; Martin, Philip D.; Schlegel, H. Bernhard; Rabuffetti, Federico A.; Allen, Matthew J.","Photophysical characterization of a highly luminescent divalent-europium-containing azacryptate.","Chemical communications (Cambridge, England)","2018","54","36","4545","4548","10.1039/c8cc01737a","","","0.71073","MoKα","","0.0424","0.0307","","","0.0673","0.0738","","","","","","1.029","","","","has coordinates,has disorder","228486","2020-10-21","18:00:00",""
"7123067","18.1601","0.0003","18.1601","0.0003","18.1601","0.0003","90","","90","","90","","5989.01","0.17","150","0.2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H9 N3 O16 Zn4 -","- C27 H9 N3 O16 Zn4 -","- C108 H36 N12 O64 Zn16 -","4","0.333333","","Xue, Hui; Zhou, Kang; Liu, Luyao; wu, dong; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Zhang, Jian; Hong, Maochun","Chiral induction in a pcu-derived network from achiral precursors","Chemical Communications","2019","","","","","10.1039/C9CC00692C","","","1.54184","CuKα","","0.0493","0.0449","","","0.1223","0.1272","","","","","","1.018","","","","has coordinates,has disorder","213928","2020-10-21","18:00:00",""
"7123068","18.171","0.0002","18.171","0.0002","18.171","0.0002","90","","90","","90","","5999.8","0.11","150","0.2","150","0.2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H9 N3 O16 Zn4 -","- C27 H9 N3 O16 Zn4 -","- C108 H36 N12 O64 Zn16 -","4","0.333333","","Xue, Hui; Zhou, Kang; Liu, Luyao; wu, dong; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Zhang, Jian; Hong, Maochun","Chiral induction in a pcu-derived network from achiral precursors","Chemical Communications","2019","","","","","10.1039/C9CC00692C","","","1.54184","CuKα","","0.0406","0.0376","","","0.1053","0.1082","","","","","","1.061","","","","has coordinates,has disorder","213928","2020-10-21","18:00:00",""
"7124643","19.1327","0.0011","19.1327","0.0011","19.1327","0.0011","90","","90","","90","","7003.7","0.7","291","2","291","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C60 H60 N6 O8 P2 -","- C60 H60 N6 O8 P2 -","- C240 H240 N24 O32 P8 -","4","0.333333","","Feng, Genfeng; Liu, Wei; Peng, Yuxin; Zhao, Bo; Huang, Wei; Dai, Yafei","Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.","Chemical communications (Cambridge, England)","2016","52","59","9267","9270","10.1039/c6cc02801b","","","0.71073","MoKα","","0.1512","0.0989","","","0.2181","0.2456","","","","","","1.136","","","","has coordinates","234052","2020-10-21","18:00:00",""
"7124896","20.898","0.003","20.898","0.003","20.898","0.003","90","","90","","90","","9127","2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C78 H66 Eu N7 O18 -","- C78 H66 Eu N7 O18 -","- C312 H264 Eu4 N28 O72 -","4","0.333333","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","0.71073","MoKα","","0.0643","0.0559","","","0.1544","0.1595","","","","","","1.041","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7124897","20.509","0.0001","20.509","0.0001","20.509","0.0001","90","","90","","90","","8626.48","0.07","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C78 H60 Cd Eu N7.5 O26 -","- C78 H60 Cd0.99 Eu N7.5 O25.97 -","- C312 H240 Cd3.96 Eu4 N30 O103.88 -","4","0.333333","","Sun, Yan-Qiong; Wan, Fang; Li, Xin-Xiong; Lin, Jian; Wu, Tao; Zheng, Shou-Tian; Bu, Xianhui","A lanthanide complex for metal encapsulations and anion exchanges.","Chemical communications (Cambridge, England)","2016","52","66","10125","10128","10.1039/c6cc05404h","","","1.54178","CuKα","","0.0733","0.0711","","","0.1996","0.2039","","","","","","1.057","","","","has coordinates","234329","2020-10-21","18:00:00",""
"7128250","23.5649","0.0002","23.5649","0.0002","23.5649","0.0002","90","","90","","90","","13085.7","0.19","123","2","123","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 Cu4 N12 Na8 O24 Rh4 S12 -","- C36 H60 Cu4 N12 Na8.0001 O24 Rh4 S12 -","- C144 H240 Cu16 N48 Na32.0004 O96 Rh16 S48 -","4","0.333333","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","x-ray","0.71073","MoKα","","0.0462","0.0384","","","0.1101","0.1151","","","","","","0.991","","","","has coordinates","265836","2021-06-05","17:17:04",""
"7128251","23.6536","0.0015","23.6536","0.0015","23.6536","0.0015","90","","90","","90","","13234","1.5","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 Cu4 N12 Na8 O25 Rh4 S12 -","- C36 H60 Cu4 N12 Na7.9998 O25 Rh4 S12 -","- C144 H240 Cu16 N48 Na31.9992 O100 Rh16 S48 -","4","0.333333","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","","0.4126","synchrotron","","0.0731","0.0592","","","0.1678","0.1792","","","","","","0.98","","","","has coordinates","265836","2021-06-05","17:17:04",""
"7130309","12.88562","0.00002","12.88562","0.00002","12.88562","0.00002","90","","90","","90","","2139.52","0.006","293","","293","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","[Ag2(1,3-benzenedithiolate)]n","[Ag2(BDT)]n","- C6 H4 Ag2 S2 -","- C6 H4 Ag2 S2 -","- C72 H48 Ag24 S24 -","12","1","","Hawila, Saly; Abdallah, Ahmad; Rukemampunzi, Jean-Luc; Fateeva, Alexandra; Ledoux, Gilles; Debord, Régis; Paihlès, Stéphane; Guillou, Nathalie; Massuyeau, Florian; Gautier, Romain; Mesbah, Adel; Demessence, Aude","A chiral 3D silver(i)–benzenedithiolate coordination polymer exhibiting photoemission and non-linear optical response","Chemical Communications","2022","","","","","10.1039/D2CC02114E","powder diffraction","","0.67122","X-raysynchrotron","","","","","","","","","0.0371","3.81","","","","","","","has coordinates","276407","2022-06-29","21:56:17",""
"7131860","15.56","0.015","15.56","0.015","15.56","0.015","90","","90","","90","","3767","6","163.15","","163.15","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H36 Cd Cl4 P2 -","- C38 H36 Cd Cl4 P2 -","- C152 H144 Cd4 Cl16 P8 -","4","0.333333","","Barman, Shubhankar; Ranjan, Priya; Datta, Anuja","Achiral Phosphonium Induced Remarkable Circular Polarized Luminescence in Chiral Cadmium (II) Halide Perovskite Material","Chemical Communications","2023","","","","","10.1039/D3CC02666C","","","0.71073","MoKα","","0.0217","0.0207","","","0.0584","0.0593","","","","","","1.13","","","","has coordinates","285085","2023-07-07","21:54:56",""
"7131972","22.009","0.003","22.009","0.003","22.009","0.003","90","","90","","90","","10661","3","250","2","250","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0511","0.051","","","0.1445","0.1447","","","","","","1.1","","","","has coordinates,has disorder","285564","2023-08-05","21:55:50",""
"7131973","21.828","0.003","21.828","0.003","21.828","0.003","90","","90","","90","","10400","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0508","0.0503","","","0.1412","0.1425","","","","","","1.045","","","","has coordinates,has disorder","285564","2023-08-05","21:55:51",""
"7131974","21.957","0.003","21.957","0.003","21.957","0.003","90","","90","","90","","10586","3","280","2","280","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.05","0.0498","","","0.1428","0.1435","","","","","","1.07","","","","has coordinates,has disorder","285564","2023-08-05","21:55:51",""
"7131975","21.6924","0.0005","21.6924","0.0005","21.6924","0.0005","90","","90","","90","","10207.6","0.4","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0372","0.0353","","","0.0912","0.0928","","","","","","1.075","","","","has coordinates,has disorder","285565","2023-08-05","21:58:40",""
"7131976","21.7661","0.0004","21.7661","0.0004","21.7661","0.0004","90","","90","","90","","10312","0.3","400","2","400","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0337","0.0314","","","0.0901","0.092","","","","","","1.055","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131977","21.7604","0.0005","21.7604","0.0005","21.7604","0.0005","90","","90","","90","","10303.9","0.4","370","2","370","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0309","0.029","","","0.0839","0.0856","","","","","","1.057","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131978","21.7017","0.0003","21.7017","0.0003","21.7017","0.0003","90","","90","","90","","10220.7","0.2","325","2","325","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0314","0.0292","","","0.0823","0.0839","","","","","","1.049","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131979","21.7575","0.0003","21.7575","0.0003","21.7575","0.0003","90","","90","","90","","10299.8","0.2","390","2","390","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0311","0.0294","","","0.0831","0.0846","","","","","","1.045","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131980","21.6411","0.0003","21.6411","0.0003","21.6411","0.0003","90","","90","","90","","10135.3","0.2","250","2","250","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0329","0.0315","","","0.0918","0.0931","","","","","","1.036","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131981","21.679","0.0003","21.679","0.0003","21.679","0.0003","90","","90","","90","","10188.7","0.2","290","2","290","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0318","0.0299","","","0.0825","0.0841","","","","","","1.037","","","","has coordinates,has disorder","285565","2023-08-05","21:58:41",""
"7131982","21.6594","0.0003","21.6594","0.0003","21.6594","0.0003","90","","90","","90","","10161.1","0.2","270","2","270","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0313","0.0298","","","0.0822","0.0834","","","","","","1.04","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131983","21.5786","0.0003","21.5786","0.0003","21.5786","0.0003","90","","90","","90","","10047.8","0.2","190","2","190","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B F3.9997 Fe3 N18 O12 -","- C408 H264 B4 F15.9988 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0351","0.0333","","","0.0946","0.0963","","","","","","1.04","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131984","21.5393","0.0004","21.5393","0.0004","21.5393","0.0004","90","","90","","90","","9993","0.3","150","2","150","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0321","0.0316","","","0.0891","0.0896","","","","","","1.074","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131985","21.4991","0.0004","21.4991","0.0004","21.4991","0.0004","90","","90","","90","","9937.1","0.3","110","2","110","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.7288","synchrotron","","0.0322","0.0316","","","0.091","0.0914","","","","","","1.054","","","","has coordinates,has disorder","285565","2023-08-05","21:58:42",""
"7131986","21.727","0.003","21.727","0.003","21.727","0.003","90","","90","","90","","10257","2","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0855","0.0837","","","0.2413","0.248","","","","","","1.039","","","","has coordinates,has disorder","285566","2023-08-05","22:03:38",""
"7131987","21.855","0.003","21.855","0.003","21.855","0.003","90","","90","","90","","10439","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0492","0.0487","","","0.1382","0.1397","","","","","","1.04","","","","has coordinates,has disorder","285566","2023-08-05","22:03:41",""
"7131988","21.625","0.003","21.625","0.003","21.625","0.003","90","","90","","90","","10113","2","350","2","350","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C103.88 H73.54 B F4 Fe3 N18 O13.88 -","- C103.884 H73.536 B0.9999 F3.9996 Fe3 N18 O13.884 -","- C415.536 H294.144 B3.9996 F15.9984 Fe12 N72 O55.536 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0353","0.0345","","","0.1074","0.1086","","","","","","1.054","","","","has coordinates,has disorder","285566","2023-08-05","22:03:41",""
"7131989","21.611","0.003","21.611","0.003","21.611","0.003","90","","90","","90","","10093","2","320","2","320","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.7 H76.8 B F4 Fe3 N18 O14.7 -","- C104.7 H76.8 B0.9999 F3.9996 Fe3 N18 O14.7 -","- C418.8 H307.2 B3.9996 F15.9984 Fe12 N72 O58.8 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72032","synchrotron","","0.0408","0.0402","","","0.1134","0.1143","","","","","","1.058","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131990","21.579","0.003","21.579","0.003","21.579","0.003","90","","90","","90","","10048","2","330","2","330","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.59 H76.36 B F4 Fe3 N18 O14.59 -","- C104.592 H76.368 B0.9999 F3.9996 Fe3 N18 O14.592 -","- C418.368 H305.472 B3.9996 F15.9984 Fe12 N72 O58.368 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0321","0.0319","","","0.0926","0.093","","","","","","1.052","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131991","21.827","0.003","21.827","0.003","21.827","0.003","90","","90","","90","","10399","2","200","2","200","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C105 H78 B F4 Fe3 N18 O15 -","- C105 H78 B0.9999 F3.9996 Fe3 N18 O15 -","- C420 H312 B3.9996 F15.9984 Fe12 N72 O60 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0559","0.0554","","","0.1647","0.166","","","","","","1.076","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131992","21.719","0.003","21.719","0.003","21.719","0.003","90","","90","","90","","10245","2","300","2","300","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0335","0.0329","","","0.0986","0.0994","","","","","","1.036","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131993","21.769","0.003","21.769","0.003","21.769","0.003","90","","90","","90","","10316","2","350","2","350","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0365","0.0353","","","0.1108","0.1128","","","","","","1.053","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131994","21.599","0.003","21.599","0.003","21.599","0.003","90","","90","","90","","10076","2","340","2","340","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C104.29 H75.14 B F4 Fe3 N18 O14.29 -","- C104.286 H75.144 B0.9999 F3.9996 Fe3 N18 O14.286 -","- C417.144 H300.576 B3.9996 F15.9984 Fe12 N72 O57.144 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0327","0.0323","","","0.0959","0.0965","","","","","","1.084","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131995","21.743","0.003","21.743","0.003","21.743","0.003","90","","90","","90","","10279","2","320","2","320","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0323","0.0315","","","0.0977","0.0988","","","","","","1.052","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131996","21.626","0.003","21.626","0.003","21.626","0.003","90","","90","","90","","10114","2","200","2","200","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B0.9999 F3.9996 Fe3 N18 O12 -","- C408 H264 B3.9996 F15.9984 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0312","0.031","","","0.0895","0.0897","","","","","","1.063","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131997","21.692","0.003","21.692","0.003","21.692","0.003","90","","90","","90","","10207","2","360","2","360","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C103.39 H71.55 B F4 Fe3 N18 O13.39 -","- C103.386 H71.544 B0.9999 F3.9996 Fe3 N18 O13.386 -","- C413.544 H286.176 B3.9996 F15.9984 Fe12 N72 O53.544 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0472","0.0455","","","0.1342","0.1373","","","","","","1.048","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7131998","21.785","0.003","21.785","0.003","21.785","0.003","90","","90","","90","","10339","2","380","2","380","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C102 H66 B F4 Fe3 N18 O12 -","- C102 H66 B F3.9997 Fe3 N18 O12 -","- C408 H264 B4 F15.9988 Fe12 N72 O48 -","4","0.333333","","BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem","A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest","Chemical Communications","2023","","","","","10.1039/D3CC02278A","","","0.72932","synchrotron","","0.0436","0.0416","","","0.1322","0.1359","","","","","","1.054","","","","has coordinates,has disorder","285566","2023-08-05","22:03:42",""
"7202300","9.8941","0.0007","9.8941","0.0007","9.8941","0.0007","90","","90","","90","","968.57","0.12","123","2","123","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H9 Co N4 O4.5 -","- C5.94 H8.94 Co N3.96 O4.47 -","- C23.76 H35.76 Co4 N15.84 O17.88 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.03","0.0282","","","0.0701","0.0721","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202301","10.2304","0.0004","10.2304","0.0004","10.2304","0.0004","90","","90","","90","","1070.72","0.07","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H8 Mn N4 O4.5 -","- C5.97 H8.05 Mn N3.97 O4.46 -","- C23.88 H32.2 Mn4 N15.88 O17.84 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.0934","0.0905","","","0.2513","0.2546","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206616","17.0146","0.0001","17.0146","0.0001","17.0146","0.0001","90","","90","","90","","4925.67","0.05","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H46 Cd3 Cl N4 Na O23 -","- C33 H33 Cd3 Cl N3 Na O19 -","- C132 H132 Cd12 Cl4 N12 Na4 O76 -","4","0.333333","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0551","0.0365","","","0.0823","0.0847","","","","","","1.01","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7211480","22.9907","0.0019","22.9907","0.0019","22.9907","0.0019","90","","90","","90","","12152.2","1.7","200","2","200","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C144 H240 K24 N48 O248 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.7107","MoKα","","0.0614","0.06","","","0.1658","0.171","","","","","","1.113","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7212469","9.9945","0.0003","9.9945","0.0003","9.9945","0.0003","90","","90","","90","","998.35","0.05","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","zinc sulfate","","","- H8 N2 O12 S3 Zn2 -","- H8 N2 O12 S3 Zn2 -","- H32 N8 O48 S12 Zn8 -","4","0.333333","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0197","0.0182","","","0.0445","0.0448","","","","","","1.188","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7218173","10.1846","0.0002","10.1846","0.0002","10.1846","0.0002","90","","90","","90","","1056.41","0.04","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Three-dimensional Manganese Sulfate","","","- C0 H2.67 Mn0.67 N0.67 O4 S -","- H2.66667 Mn0.666667 N0.666667 O4 S -","- H32 Mn8 N8 O48 S12 -","12","1","","Behera, Jogendra Nath; Bhattacharjee, Joydeep; Horike, Satoshi; Marri, Subba Reddy; Dahiya, Prem","Synthesis and characterization of robust three-dimensional chiral metal sulfates","RSC Adv.","2014","","","","","10.1039/C4RA09471A","","","0.71073","MoKα","","0.0153","0.015","","","0.0378","0.0379","","","","","","1.03","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218174","10.0022","0.0008","10.0022","0.0008","10.0022","0.0008","90","","90","","90","","1000.66","0.14","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","Three-dimensional Manganese Sulfate","","","- C0 H2.67 Cl0 Mg0.67 N0.67 O4 S -","- H2.66667 Mg0.666667 N0.666667 O4 S -","- H32 Mg8 N8 O48 S12 -","12","1","","Behera, Jogendra Nath; Bhattacharjee, Joydeep; Horike, Satoshi; Marri, Subba Reddy; Dahiya, Prem","Synthesis and characterization of robust three-dimensional chiral metal sulfates","RSC Adv.","2014","","","","","10.1039/C4RA09471A","","","0.71073","MoKα","","0.0163","0.0162","","","0.044","0.0441","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218879","22.7589","0.0003","22.7589","0.0003","22.7589","0.0003","90","","90","","90","","11788.4","0.3","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C77 H99 Cu7 N7 O23 -","- C77 H99 Cu7 N7 O23 -","- C308 H396 Cu28 N28 O92 -","4","0.333333","","Mondal, Biplab; Kalita, Aswini; Kumar, Vikash","C-nitrosation of a -diketiminate ligand in copper(II) complex","RSC Adv.","2014","","","","","10.1039/C4RA08281H","","","0.71073","MoKα","","0.0648","0.0495","","","0.1303","0.139","","","","","","1.065","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7221174","5.132","","5.132","","5.132","","90","","90","","90","","135.164","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Rh Sn -","- Rh Sn -","- Rh4 Sn4 -","4","0.333333","","Schubert, K.","Untersuchungen im System Rh-Sn","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1947","2","","120","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7222212","14.6382","0.0004","14.6382","0.0004","14.6382","0.0004","90","","90","","90","","3136.63","0.15","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C30 H27 Br N6 Ni O6 Zn -","- C30 H27 Br N6 Ni O6 Zn -","- C120 H108 Br4 N24 Ni4 O24 Zn4 -","4","0.333333","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0545","0.038","","","0.0828","0.0899","","","","","","1.044","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222672","10.0047","","10.0047","","10.0047","","90","","90","","90","","1001.41","","","","","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","(Co (N H3)6) Cl (C O3)","","- C H18 Cl Co N6 O3 -","- C H18 Cl Co N6 O3 -","- C4 H72 Cl4 Co4 N24 O12 -","4","0.333333","","Dahm, M.; Adam, A.","(Co (N H3)6) Cl C O3 - ein Hexaammincobalt(III)-Komplex mit einer 'idealen' Carbonat-Gruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1117","1122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222706","6.5463","","6.5463","","6.5463","","90","","90","","90","","280.535","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Eu Pt Ge","","- Eu Ge Pt -","- Eu Ge Pt -","- Eu4 Ge4 Pt4 -","4","0.333333","","Poettgen, R.; Muellmann, R.; Kremer, R.K.; Mosel, B.D.; Schnelle, W.","Magnetic, electrical and 151Eu Moessbauer properties of Eu Pt Ge","Journal of Materials Chemistry","1996","6","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7239124","21.4954","0.0013","21.4954","0.0013","21.4954","0.0013","90","","90","","90","","9932","1","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C25 H104 N24 Ni5 O73 P2 W19 -","- C25 H96 N24 Ni5 O73 P2 W19 -","- C100 H384 N96 Ni20 O292 P8 W76 -","4","0.333333","","Liu, Zhu-Jun; Yao, Shuang; Zhang, Zhi-Ming; Wang, En-Bo","A polyoxometalate-based ionic crystal assembly from a heterometallic cluster and polyoxoanions with visible-light catalytic activity","RSC Advances","2013","3","43","20829","","10.1039/c3ra42594k","","","0.71073","MoKα","","0.0508","0.0377","","","0.0882","0.0955","","","","","","1.022","","","","has coordinates","244558","2020-10-21","18:00:00",""
"7240839","10.3003","0.0011","10.3003","0.0011","10.3003","0.0011","90","","90","","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf K2 O12 P3 Tb -","- Hf K2 O12 P3 Tb -","- Hf4 K8 O48 P12 Tb4 -","4","0.333333","","Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying","Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure","CrystEngComm","2020","","","","","10.1039/D0CE00322K","","","0.71073","MoKα","","0.0407","0.0345","","","0.0629","0.0658","","","","","","1.056","","","","has coordinates","254166","2020-10-21","18:00:00",""
"7242918","23.6033","0.0008","23.6033","0.0008","23.6033","0.0008","90","","90","","90","","13149.8","0.8","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H36 Co4 F3 N15 O10 S -","- C60 H36 Co4 F3 N15 O10 S -","- C240 H144 Co16 F12 N60 O40 S4 -","4","0.333333","","Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun","A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones","CrystEngComm","2021","23","26","4667","4673","10.1039/D1CE00545F","","","0.71073","MoKα","","0.0611","0.0394","","","0.0842","0.0908","","","","","","1.002","","","","has coordinates","268658","2021-09-06","10:26:12",""
"7244348","16.0943","0.0009","16.0943","0.0009","16.0943","0.0009","90","","90","","90","","4168.9","0.4","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C39 H36 Cl F6 Ni O3 P5 -","- C39 H36 Cl F6 Ni O3 P5 -","- C156 H144 Cl4 F24 Ni4 O12 P20 -","4","0.333333","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0924","0.063","","","0.1675","0.1973","","","","","","1.059","","","","has coordinates","272545","2022-02-04","02:17:49",""
"7248247","18.3042","0.0002","18.3042","0.0002","18.3042","0.0002","90","","90","","90","","6132.71","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.081","0.0701","","","0.1848","0.1952","","","","","","1.042","","","","has coordinates","291598","2024-05-05","02:20:09",""
"7248249","18.0217","0.0003","18.0217","0.0003","18.0217","0.0003","90","","90","","90","","5853.12","0.17","250","2","250","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0481","0.039","","","0.0949","0.0989","","","","","","1.043","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248250","18.231","0.0002","18.231","0.0002","18.231","0.0002","90","","90","","90","","6059.43","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H80.0001 Cl Cu N6 O7 -","- C252 H320 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0776","0.0723","","","0.1995","0.2056","","","","","","1.086","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248251","18.0116","0.0002","18.0116","0.0002","18.0116","0.0002","90","","90","","90","","5843.28","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0753","0.0727","","","0.2028","0.2069","","","","","","1.048","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248252","17.9422","0.0004","17.9422","0.0004","17.9422","0.0004","90","","90","","90","","5776","0.2","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0385","0.0339","","","0.0874","0.0903","","","","","","1.058","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248253","18.2489","0.0002","18.2489","0.0002","18.2489","0.0002","90","","90","","90","","6077.29","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0805","0.0775","","","0.2099","0.2135","","","","","","1.075","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248254","18.0076","0.0003","18.0076","0.0003","18.0076","0.0003","90","","90","","90","","5839.39","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0717","0.0698","","","0.1912","0.194","","","","","","1.051","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248255","18.2443","0.0003","18.2443","0.0003","18.2443","0.0003","90","","90","","90","","6072.7","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0786","0.076","","","0.2049","0.2082","","","","","","1.069","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7702370","12.6301","0.0004","12.6301","0.0004","12.6301","0.0004","90","","90","","90","","2014.75","0.11","120","","120","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","tripicolinium nitrate sulphate","tris-2-methylpiridinium nitrate sulphate","","- C18 H21 N5 O7 S -","- C18 H21 N3.6666 O6.3333 S0.3333 -","- C72 H84 N14.6664 O25.3332 S1.3332 -","4","0.333333","","Hazell, Alan; McGinley, John; Toftlund, Hans","Synthesis and structural characterisation of Group I and II metal complexes involving the ligand tris(2-pyridylmethyl)amine","Journal of the Chemical Society, Dalton Transactions","1999","","8","1271","","10.1039/a900359b","","","0.71073","MoKα","","","0.035","","","0.05","","","","","3.64","3.64","","","","","has coordinates","288320","2023-12-14","18:11:57",""
"7704230","13.739","0.0002","13.739","0.0002","13.739","0.0002","90","","90","","90","","2593.38","0.07","173","2","173","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C17 H36 F3 N4 O3 P3 S -","- C16.333 H35.9991 F3 N3.9999 O3 P3.001 S -","- C65.332 H143.996 F12 N15.9996 O12 P12.004 S4 -","4","0.333333","","Musongong, Joseph T.; Otang, Mathew E.; Mash, Brandon L.; Zeller, Matthias; Stahl, Lothar","Covalent and ionic bonding in bi- and tricyclic Group 15 amides: equidistant P-I and As-I bonds and fluxional cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6341","6354","10.1039/d0dt01163k","","","0.71073","MoKα","","0.0361","0.0339","","","0.0992","0.1021","","","","","","1.091","","","","has coordinates,has disorder","252767","2020-10-21","18:00:00",""
"7707836","28.9936","0.0006","28.9936","0.0006","28.9936","0.0006","90","","90","","90","","24372.9","0.9","150","","150.01","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H84 Co4 Ge O12 P4 -","- C48 H84 Co4 Ge O12 P4 -","- C768 H1344 Co64 Ge16 O192 P64 -","16","1.33333","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0831","0.0529","","","0.1214","0.137","","","","","","1.024","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7707950","14.2093","0.0008","14.2093","0.0008","14.2093","0.0008","90","","90","","90","","2868.9","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C31 H33 O8 P U -","- C31 H32.9997 O8 P U -","- C124 H131.999 O32 P4 U4 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A chiral uranyl-Kemp's tricarboxylate cubic framework: structure-directing effect of counterions with three-fold rotational symmetry.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11021","11024","10.1039/d1dt02232f","","","0.71073","MoKα","","0.0099","0.0099","","","0.0253","0.0253","","","","","","1.085","","","","has coordinates","268736","2021-09-06","11:04:03",""
"7711367","32.52","0.005","32.52","0.005","32.52","0.005","90","","90","","90","","34392","9","119.97","","119.97","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C517 H416 Cl3 N46 O192 Zn24 -","- C487 H322 Cl3 N40 O172 Zn24 -","- C974 H644 Cl6 N80 O344 Zn48 -","2","0.166667","","Shi, Rong; Xu, Ze-Ming; Chen, Cao; Niu, Zheng; Lang, Jian-Ping","A 3D/3D hetero-interpenetrated MOF with a novel (3,9)-c net and 6-c lcy net for the fluorescence detection of carbaryl","Dalton Transactions","2022","","","","","10.1039/D2DT01893D","","","0.71073","MoKα","","0.0625","0.0555","","","0.1464","0.1514","","","","","","0.9892","","","","has coordinates,has disorder","278268","2022-09-29","22:50:40",""
"7715530","14.7089","0.0002","14.7089","0.0002","14.7089","0.0002","90","","90","","90","","3182.3","0.07","120","2","120","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C15 H34 Cl F9 N3 O11 P3 Zn2 -","- C15 H33.9996 Cl F9 N3 O10.9998 P3 Zn2 -","- C60 H135.998 Cl4 F36 N12 O43.9992 P12 Zn8 -","4","0.333333","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr","Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging","Dalton Transactions","2024","","","","","10.1039/D4DT00507D","","","0.71073","MoKα","","0.0274","0.0266","","","0.0673","0.0678","","","","","","1.04","","","","has coordinates,has disorder","290659","2024-03-27","00:10:03",""
"8100736","11.0409","0.0005","11.0409","0.0005","11.0409","0.0005","90","","90","","90","","1345.9","0.11","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- As3 K6 Nb O -","- As3 K6 Nb O -","- As12 K24 Nb4 O4 -","4","0.333333","","Nuss, Jürgen; Hönle, Wolfgang; von Schnering, Hans Georg","Crystal structure of hexapotassium niobium triarsenide oxide, K~6~ [NbAs~3~O]","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","314","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","201369","2020-10-21","18:00:00",""
"8101511","12.245","0.001","12.245","0.001","12.245","0.001","90","","90","","90","","1836","0.3","300","2","300","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","sodium zincarsenate","","","- As4 H6 Na6 O19 Zn3 -","- As4 H6 Na6 O19 Zn3 -","- As16 H24 Na24 O76 Zn12 -","4","0.333333","","Gesing, Thorsten M.; Wartchow, Rudolf","Crystal structure of hexasodium trizinc tetraarsenate trihydrate, Na6Zn3(AsO4)4 · 3H2O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","145","146","","","","","","","","0.0182","","","0.0361","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102980","10.9171","0.0011","10.9171","0.0011","10.9171","0.0011","90","","90","","90","","1301.1","0.2","223","2","223","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","sodium strontium monothiophosphate nonahydrate","","- H18 Na O12 P S Sr -","- H18 Na O12 P S Sr -","- H72 Na4 O48 P4 S4 Sr4 -","4","0.333333","","Mimoza Gjikaj","Crystal structure of sodium strontium monothiophosphate nonahydrate, NaSr[PO3S] · 9H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","1","","","","","0.71073","MoKα","","0.0435","0.0413","","","0.0856","0.0865","","","","","","1.118","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103055","4.89695","0.00006","4.89695","0.00006","4.89695","0.00006","90","","90","","90","","117.429","0.002","295","2","295","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ga Pd -","- Ga Pd -","- Ga4 Pd4 -","4","0.333333","","Marc Armbrüster; Horst Borrmann; Michael Wedel; Yurii Prots; Rainer Giedigkeit; Peter Gille","Refinement of the crystal structure of palladium gallium (1:1), PdGa","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","617","","","","x-ray","0.56087","AgKα","","0.0266","0.0242","","","0.0341","0.0349","","","","","","1.187","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103187","10.1993","0.0002","10.1993","0.0002","10.1993","0.0002","90","","90","","90","","1060.99","0.04","295","2","295","2","","","","","","","synthesis as described","5","P 21 3","P 2ac 2ab 3","198","","","","- H4 Hf2 Li O14 P3 -","- H4.02 Hf2 Li O14 P3 -","- H16.08 Hf8 Li4 O56 P12 -","4","0.333333","","Shuang Chen; Stefan Hoffmann; Horst Borrmann; Rüdiger Kniep","Crystal structure of a lithium-filled langbeinite variant, Li(H2O)2[Hf2(PO4)3]","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","299","","","","x-ray","0.56089","AgKα","","0.0268","0.022","","","0.0336","0.0346","","","","","","0.993","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103595","15.248","","15.248","","15.248","","90","","90","","90","","3545.18","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ca8.688 Na0.625 (Al6 O18)","","- Al6 Ca8.688 Na0.625 O18 -","- Al6 Ca8.685 Na0.625 O18 -","- Al48 Ca69.48 Na5 O144 -","8","0.666667","","Takeuchi, Y.; Nishi, F.; Maki, I.","Crystal-chemical characterization of the (Ca O)3 * (Al2 O3) - (Na2 O) solid-solution series","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","259","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","146312","2020-10-21","18:00:00",""
"8104500","10.393","","10.393","","10.393","","90","","90","","90","","1122.59","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- K3 Sb Te3 -","- K3 Sb Te3 -","- K12 Sb4 Te12 -","4","0.333333","","Eisenmann, B.; Zagler, R.","Crystal structure of tripotassium tritelluroantimonate(III)","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104501","10.369","","10.369","","10.369","","90","","90","","90","","1114.83","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","K3 Bi Te3","","- Bi K3 Te3 -","- Bi K3 Te3 -","- Bi4 K12 Te12 -","4","0.333333","","Eisenmann, B.; Zagler, R.","Crystal structure of tripotassium tritellurobismutate(III)","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000565","5.886","","5.886","","5.886","","90","","90","","90","","203.92","","","","","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","Ullmannite","- As0.1 Bi0.01 Co0.03 Ni0.97 S0.98 Sb0.91 -","- As0.1 Bi0.01 Co0.03 Ni0.97 S0.98 Sb0.91 -","- As0.4 Bi0.04 Co0.12 Ni3.88 S3.92 Sb3.64 -","4","0.333333","","Bayliss, P.","Crystal structure refinement of arsenian ullmannite approximate cubic structure","American Mineralogist","1977","62","","369","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000761","5.9218","","5.9218","","5.9218","","90","","90","","90","","207.664","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","Ullmannite","- Co0.14 Ni0.86 S Sb -","- Co0.14 Ni0.86 S Sb -","- Co0.56 Ni3.44 S4 Sb4 -","4","0.333333","","Pratt, J. L.; Bayliss, P.","Crystal structure refinement of a cobaltian ullmannite","American Mineralogist","1980","65","","154","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9004000","6.025","","6.025","","6.025","","90","","90","","90","","218.711","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","Melliniite","- Fe1.68 Ni2.32 P -","- Fe1.68 Ni2.32 P -","- Fe6.72 Ni9.28 P4 -","4","0.333333","","Pratesi, G.; Bindi, L.; Moggi-Cecchi V","Icosahedral coordination of phosphorus in the crystal structure of melliniite, a new phosphide mineral from the Northwest Africa 1054 acapulcoite","American Mineralogist","2006","91","","451","454","10.2138/am.2006.2095","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004073","6.642","","6.642","","6.642","","90","","90","","90","","293.02","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","Michenerite","- Bi0.88 Pd Sb0.11 Te -","- Bi0.88 Pd Sb0.11 Te -","- Bi3.52 Pd4 Sb0.44 Te4 -","4","0.333333","","Childs, J. D.; Hall, S. R.","The crystal structure of michenerite, PdBiTe","The Canadian Mineralogist","1973","12","","61","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004907","6.3181","","6.3181","","6.3181","","90","","90","","90","","252.208","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","Milotaite","- Pd Sb Se -","- Pd Sb Se -","- Pd4 Sb4 Se4 -","4","0.333333","","Paar, W. H.; Topa, D.; Makovicky, E.; Culetto, F. J.","Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech Republic Sample: synthetic analog to milotaite","The Canadian Mineralogist","2005","43","","689","694","10.2113/gscanmin.43.2.689","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005788","10.4289","","10.4289","","10.4289","","90","","90","","90","","1134.27","","","","533.15","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","Langbeinite","- Ca2 K2 O12 S3 -","- Ca2 K2 O12 S3 -","- Ca8 K8 O48 S12 -","4","0.333333","","Speer, D.; Salje, E.","Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2++K2(SO4)3, M++=Mg,Ni,Co,Zn,Ca Sample: K2Ca2(SO4)3, T = 260 C","Physics and Chemistry of Minerals","1986","13","","17","24","10.1007/BF00307309","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005867","10.1073","","10.1073","","10.1073","","90","","90","","90","","1032.54","","","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","Langbeinite","- K2 Mn2 O12 S3 -","- K2 Mn2 O12 S3 -","- K8 Mn8 O48 S12 -","4","0.333333","","Oelkrug, H.; Bruckel, T.; Hohlwein, D.; Hoser, A.; Prandl, W.","The magnetic structure of the langbeinite K2Mn2(SO4)3","Physics and Chemistry of Minerals","1988","16","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005877","10.2643","","10.2643","","10.2643","","90","","90","","90","","1081.4","","","","440","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 440 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005878","10.285","","10.285","","10.285","","90","","90","","90","","1087.96","","","","540","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 540 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005879","10.3043","","10.3043","","10.3043","","90","","90","","90","","1094.1","","","","640","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 640 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007047","4.5507","","4.5507","","4.5507","","90","","90","","90","","94.24","","","","300","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","FeSi","- Fe Si -","- Fe Si -","- Fe4 Si4 -","4","0.333333","","Vocadlo, L.; Knight, K. S.; Price, G. D.; Wood, I. G.","Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction Sample: T = 300 K, epsilon FeSi phase","Physics and Chemistry of Minerals","2002","29","","132","139","10.1007/s002690100202","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007987","10.188","","10.188","","10.188","","90","","90","","90","","1057.47","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H8 Mn2 N2 O12 S3 -","- H8 Mn2 N2 O12 S3 -","- H32 Mn8 N8 O48 S12 -","4","0.333333","","Zhang, X. M.; Hao, Z. M.; Ng, S. W.","Langbeinite-type (NH4)2Mn2(SO4)3","Acta Crystallographica, Section E","2005","61","","i82","i83","10.1107/S1600536805011736","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008285","11.878","","11.878","","11.878","","90","","90","","90","","1675.83","","","","105","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- D18 Na3 O9 S4 Sb -","- D18 Na3 O9 S4 Sb -","- D72 Na12 O36 S16 Sb4 -","4","0.333333","","Mereiter, K.; Preisinger, A.; Guth, H.; Heger, G.; Hiebl, K.; Mikenda, W.","Hydrogen bonds in Schlippe's salt, Na3SbS4*9H2O and Na3SbS4*9D2O: Diffraction and spectroscopic studies in the temperature range of 75K to 295 K Note: sample at T = 105 K","Zeitschrift fur Kristallographie","1979","150","","215","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009070","5.696","","5.696","","5.696","","90","","90","","90","","184.803","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- O S Zr -","- O S Zr -","- O4 S4 Zr4 -","4","0.333333","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Distorted fluorite structure","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009436","5.6885","","5.6885","","5.6885","","90","","90","","90","","184.074","","","","","","","","","","","","Wolfsberg, Harz, Germany","3","P 21 3","P 2ac 2ab 3","198","","","Gersdorffite-P213","- As0.82 Ni S1.18 -","- As0.82 Ni S1.18 -","- As3.28 Ni4 S4.72 -","4","0.333333","","Bayliss, P.; Stephenson, N. C.","The crystal structure of gersdorffite","Mineralogical Magazine","1967","36","","38","42","10.1180/minmag.1967.036.277.05","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009551","10.7116","","10.7116","","10.7116","","90","","90","","90","","1229.03","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","Nabaphite","- Ba H18 Na O13 P -","- Ba H18 Na O13 P -","- Ba4 H72 Na4 O52 P4 -","4","0.333333","","Baturin, S. V.; Malinovskii, Y. A.; Belov, N. V.","The crystal structure of nabaphite NaBa[PO4]*9H2O","Doklady Akademii Nauk SSSR","1982","266","","624","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9011198","6.292","","6.292","","6.292","","90","","90","","90","","249.096","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","","- Mn3.28 Ni1.01 Si0.71 -","- Mn3.28 Ni1.01 Si0.71 -","- Mn13.12 Ni4.04 Si2.84 -","4","0.333333","","Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S.","Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system","Acta Crystallographica, Section B","1978","34","","3573","3576","10.1107/S0567740878011620","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011418","8.126","","8.126","","8.126","","90","","90","","90","","536.575","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Nitrobarite","- Ba N2 O6 -","- Ba N2 O6 -","- Ba4 N8 O24 -","4","0.333333","","Birnstock, R.","Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung","Zeitschrift fur Kristallographie","1967","124","","310","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011902","10.559","","10.559","","10.559","","90","","90","","90","","1177.25","","","","","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","Nastrophite","- Ba0.03 Ca0.03 H18 Na O13.001 P Sr0.94 -","- Ba0.03 Ca0.03 H18 Na O13.001 P Sr0.94 -","- Ba0.12 Ca0.12 H72 Na4 O52.004 P4 Sr3.76 -","4","0.333333","","Baturin, S. V.; Malinovskii, Y. A.; Belov, N. V.","The crystal structure of nastrophite Na(Sr,Ba)[PO4]*9H2O","Soviet Physics Doklady","1981","26","","1023","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012202","10.475","","10.475","","10.475","","90","","90","","90","","1149.38","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Billingsleyite","- Ag7 As S6 -","- Ag7 As S6 -","- Ag28 As4 S24 -","4","0.333333","","Pertlik, F.","Hydrothermal synthesis and crystal structure determination of heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on thioarsenate anions Locality: synthetic","Journal of Solid State Chemistry","1994","112","","170","175","10.1006/jssc.1994.1282","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012257","5.5386","","5.5386","","5.5386","","90","","90","","90","","169.903","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ni P S -","- Ni P S -","- Ni4 P4 S4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012258","5.6888","","5.6888","","5.6888","","90","","90","","90","","184.103","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Gersdorffite-P213","- As Ni S -","- As Ni S -","- As4 Ni4 S4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012259","5.9341","","5.9341","","5.9341","","90","","90","","90","","208.961","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Ullmannite","- Ni S Sb -","- Ni S Sb -","- Ni4 S4 Sb4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012260","5.8469","","5.8469","","5.8469","","90","","90","","90","","199.884","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Jolliffeite","- As Ni Se -","- As Ni Se -","- As4 Ni4 Se4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012261","6.0868","","6.0868","","6.0868","","90","","90","","90","","225.511","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ni Sb Se -","- Ni Sb Se -","- Ni4 Sb4 Se4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012262","5.9507","","5.9507","","5.9507","","90","","90","","90","","210.719","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Hollingworthite","- As Pd S -","- As Pd S -","- As4 Pd4 S4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012263","6.0948","","6.0948","","6.0948","","90","","90","","90","","226.401","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Kalungaite","- As Pd Se -","- As Pd Se -","- As4 Pd4 Se4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012264","6.324","","6.324","","6.324","","90","","90","","90","","252.916","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Milotaite","- Pd Sb Se -","- Pd Sb Se -","- Pd4 Sb4 Se4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012265","6.5362","","6.5362","","6.5362","","90","","90","","90","","279.239","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Testibiopalladite","- Pd Sb Te -","- Pd Sb Te -","- Pd4 Sb4 Te4 -","4","0.333333","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012368","8.2912","","8.2912","","8.2912","","90","","90","","90","","569.97","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cl Hg3 O4 P -","- Cl Hg3 O4 P -","- Cl4 Hg12 O16 P4 -","4","0.333333","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012369","8.3983","","8.3983","","8.3983","","90","","90","","90","","592.344","","","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","Kuznetsovite","- As Cl Hg3 O4 -","- As Cl Hg3 O4 -","- As4 Cl4 Hg12 O16 -","4","0.333333","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012370","8.4611","","8.4611","","8.4611","","90","","90","","90","","605.732","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- As Br Hg3 O4 -","- As Br Hg3 O4 -","- As4 Br4 Hg12 O16 -","4","0.333333","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012480","5.649","","5.649","","5.649","","90","","90","","90","","180.266","","","","20","","","","","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012481","5.495","","5.495","","5.495","","90","","90","","90","","165.922","","","","20","","","","269000","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012482","5.433","","5.433","","5.433","","90","","90","","90","","160.369","","","","19.6","","","","383500","","","","Synthetic","1","P 21 3","P 2ac 2ab 3","198","Nitrogen","","Nitrogen","- N -","- N -","- N4 -","4","0.333333","","Schuch, A. F.; Mills, R. L.","Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase","Journal of Chemical Physics","1970","52","","6000","6008","10.1063/1.1672899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013823","10.476","","10.476","","10.476","","90","","90","","90","","1149.7","","","","","","","","","","","","North Lily mine, East Tintic district, Utah, USA","5","P 21 3","P 2ac 2ab 3","198","","","Billingsleyite","- Ag6.979 As0.886 Cu0.021 S6 Sb0.114 -","- Ag27.916 As3.544 Cu0.084 S24 Sb0.456 -","- Ag27.916 As3.544 Cu0.084 S24 Sb0.456 -","","","","Bindi, L.; Downs, R. T.; Menchetti, S.","The crystal structure of billingsleyite, Ag7(As,Sb)S6, a sulfosalt containing As5+ Locality: North Lily mine, East Tintic district, Utah, USA","The Canadian Mineralogist","2010","48","","155","162","10.3749/canmin.48.1.155","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013970","4.5559","","4.5559","","4.5559","","90","","90","","90","","94.563","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn4 Si4 -","- Mn4 Si4 -","","","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013971","4.55613","","4.55613","","4.55613","","90","","90","","90","","94.578","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn4 Si4 -","- Mn4 Si4 -","","","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013972","4.55643","","4.55643","","4.55643","","90","","90","","90","","94.596","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn4 Si4 -","- Mn4 Si4 -","","","","Jorgensen, J. E.; Rasmussen, S. E.","Refinement of the structure of MnSi by powder diffraction","Powder Diffraction","1991","6","","194","195","10.1017/S0885715600017504","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9013994","4.548","","4.548","","4.548","","90","","90","","90","","94.072","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn4 Si4 -","- Mn4 Si4 -","","","","Boren, B.","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Zeitschrift fur Metallkunde","1957","48","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:33:15",""
"9013998","4.558","","4.558","","4.558","","90","","90","","90","","94.694","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","Brownleeite","- Mn Si -","- Mn4 Si4 -","- Mn4 Si4 -","","","","Lebech, B.; Bernhard, J.; Freltoft, T.","Magnetic structures of cubic FeGe studied by small-angle neutron scattering","Journal of Physics: Condensed Matter","1989","1","","6105","6122","10.1088/0953-8984/1/35/010","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:33:15",""
"9014730","9.919","","9.919","","9.919","","90","","90","","90","","975.896","","","","","","","","","","","","the Harmstorf deposit, Werratal, Hessen, Germany","4","P 21 3","P 2ac 2ab 3","198","","","Langbeinite","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","- K8 Mg8 O48 S12 -","","","","Mereiter, K.","Refinement of the crystal structure of langbeinite, K2Mg2(SO4)3","Neues Jahrbuch fur Mineralogie, Monatshefte","1979","1979","","182","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016687","10.19","","10.19","","10.19","","90","","90","","90","","1058.09","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P 21 3","P 2ac 2ab 3","198","","","Calciolangbeinite","- Ca1.325 K2 Mg0.67 O12 S3 -","- Ca5.3 K8 Mg2.68 O48 S12 -","- Ca5.3 K8 Mg2.68 O48 S12 -","","","","Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; Pushcharovsky, D. Y.","Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia","Mineralogical Magazine","2012","76","","673","682","10.1180/minmag.2012.076.3.16","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""